2026-07-22 03:10:02 NPdock start 2026-07-22 03:10:02 ver: server 2026-07-22 03:10:02 mode: 11111 2026-07-22 03:10:02 is RNA? 0 2026-07-22 03:10:02 Interface: prot: '' na: '' 2026-07-22 03:10:02 Curr dir:/home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/ 2026-07-22 03:10:02 GRAMM in progress... 2026-07-22 03:10:02 python /home/rpdock/run_gramm//run_gramm1.py -d 20000 -p prot.pdb -r na.pdb -pi '' -ri '' -n 1 -pf '*' -rf '*' 2026-07-22 04:19:11 GRAMM done 2026-07-22 04:19:11 DNP scoring in progress... 2026-07-22 04:19:11 time python /home/rpdock/run_gramm//DNP/laczony/QUASI-DNP-QDV_potential_1.0.py -m 100 -f list.txt -o dnp_out.txt 2026-07-22 04:19:11 QDV-DNP starts 2026-07-22 04:19:11 Show log every 100 structures 2026-07-22 04:19:11 QUASI-DNP starts 2026-07-22 04:19:12 na-prot_1000.pdb -630833.18555 2026-07-22 04:19:31 na-prot_94.pdb -972172.04626 2026-07-22 04:19:50 na-prot_194.pdb -1091868.74394 2026-07-22 04:20:09 na-prot_294.pdb -836946.818559 2026-07-22 04:20:29 na-prot_394.pdb -926928.582048 2026-07-22 04:20:48 na-prot_494.pdb -794009.065438 2026-07-22 04:21:07 na-prot_594.pdb -697961.764672 2026-07-22 04:21:27 na-prot_694.pdb -615429.38314 2026-07-22 04:21:47 na-prot_794.pdb -898822.140605 2026-07-22 04:22:06 na-prot_894.pdb -651473.708971 2026-07-22 04:22:27 na-prot_994.pdb -1038386.99292 2026-07-22 04:22:47 na-prot_1100.pdb -876215.539543 2026-07-22 04:23:07 na-prot_1200.pdb -1015698.17815 2026-07-22 04:23:27 na-prot_1300.pdb -750775.543131 2026-07-22 04:23:47 na-prot_1400.pdb -974046.490695 2026-07-22 04:24:08 na-prot_1500.pdb -668404.568126 2026-07-22 04:24:29 na-prot_1600.pdb -660532.745901 2026-07-22 04:24:49 na-prot_1700.pdb -676878.119451 2026-07-22 04:25:10 na-prot_1800.pdb -520812.158633 2026-07-22 04:25:31 na-prot_1900.pdb -623611.309523 2026-07-22 04:25:52 na-prot_2000.pdb -947228.427616 2026-07-22 04:26:13 na-prot_2100.pdb -873438.126473 2026-07-22 04:26:34 na-prot_2200.pdb -819720.899403 2026-07-22 04:26:55 na-prot_2300.pdb -577445.243374 2026-07-22 04:27:15 na-prot_2400.pdb -672820.509303 2026-07-22 04:27:36 na-prot_2500.pdb -484106.667798 2026-07-22 04:27:57 na-prot_2600.pdb -633451.652397 2026-07-22 04:28:18 na-prot_2700.pdb -806574.422598 2026-07-22 04:28:39 na-prot_2800.pdb -436739.653208 2026-07-22 04:29:01 na-prot_2900.pdb -650994.542806 2026-07-22 04:29:22 na-prot_3000.pdb -755345.041734 2026-07-22 04:29:43 na-prot_3100.pdb -525556.302669 2026-07-22 04:30:03 na-prot_3200.pdb -655226.164142 2026-07-22 04:30:25 na-prot_3300.pdb -952480.47658 2026-07-22 04:30:45 na-prot_3400.pdb -795723.423859 2026-07-22 04:31:07 na-prot_3500.pdb -548770.703025 2026-07-22 04:31:28 na-prot_3600.pdb -624240.466034 2026-07-22 04:31:48 na-prot_3700.pdb -1074171.66736 2026-07-22 04:32:09 na-prot_3800.pdb -794089.305521 2026-07-22 04:32:30 na-prot_3900.pdb -665071.886988 2026-07-22 04:32:51 na-prot_4000.pdb -741730.000196 2026-07-22 04:33:13 na-prot_4100.pdb -554280.743558 2026-07-22 04:33:33 na-prot_4200.pdb -616133.634951 2026-07-22 04:33:54 na-prot_4300.pdb -489725.908413 2026-07-22 04:34:15 na-prot_4400.pdb -741788.478003 2026-07-22 04:34:36 na-prot_4500.pdb -620816.728463 2026-07-22 04:34:55 na-prot_4600.pdb -480675.704683 2026-07-22 04:35:14 na-prot_4700.pdb -484651.297076 2026-07-22 04:35:32 na-prot_4800.pdb -513923.227418 2026-07-22 04:35:51 na-prot_4900.pdb -669187.708573 2026-07-22 04:36:10 na-prot_5000.pdb -561766.207597 2026-07-22 04:36:28 na-prot_5100.pdb -963045.802626 2026-07-22 04:36:47 na-prot_5200.pdb -651812.366536 2026-07-22 04:37:05 na-prot_5300.pdb -462200.271143 2026-07-22 04:37:24 na-prot_5400.pdb -503520.153329 2026-07-22 04:37:42 na-prot_5500.pdb -551627.077753 2026-07-22 04:38:01 na-prot_5600.pdb -678240.440793 2026-07-22 04:38:19 na-prot_5700.pdb -549335.609558 2026-07-22 04:38:38 na-prot_5800.pdb -663066.556532 2026-07-22 04:38:57 na-prot_5900.pdb -440692.419278 2026-07-22 04:39:15 na-prot_6000.pdb -525720.5184 2026-07-22 04:39:34 na-prot_6100.pdb -693919.705639 2026-07-22 04:39:53 na-prot_6200.pdb -408351.813629 2026-07-22 04:40:12 na-prot_6300.pdb -554217.382809 2026-07-22 04:40:32 na-prot_6400.pdb -479030.342176 2026-07-22 04:40:51 na-prot_6500.pdb -745932.38091 2026-07-22 04:41:09 na-prot_6600.pdb -531578.787325 2026-07-22 04:41:28 na-prot_6700.pdb -540068.165877 2026-07-22 04:41:46 na-prot_6800.pdb -735587.949481 2026-07-22 04:42:05 na-prot_6900.pdb -641972.868885 2026-07-22 04:42:23 na-prot_7000.pdb -1038661.49967 2026-07-22 04:42:43 na-prot_7100.pdb -514966.491312 2026-07-22 04:43:01 na-prot_7200.pdb -519653.559252 2026-07-22 04:43:20 na-prot_7300.pdb -532483.79776 2026-07-22 04:43:38 na-prot_7400.pdb -413775.176704 2026-07-22 04:43:57 na-prot_7500.pdb -611258.701922 2026-07-22 04:44:15 na-prot_7600.pdb -611318.699986 2026-07-22 04:44:34 na-prot_7700.pdb -855315.45994 2026-07-22 04:44:52 na-prot_7800.pdb -519076.891016 2026-07-22 04:45:11 na-prot_7900.pdb -645116.495434 2026-07-22 04:45:30 na-prot_8000.pdb -592682.508833 2026-07-22 04:45:48 na-prot_8100.pdb -689985.224563 2026-07-22 04:46:06 na-prot_8200.pdb -621889.867127 2026-07-22 04:46:25 na-prot_8300.pdb -708958.734676 2026-07-22 04:46:43 na-prot_8400.pdb -494497.768858 2026-07-22 04:47:02 na-prot_8500.pdb -887156.190438 2026-07-22 04:47:20 na-prot_8600.pdb -520742.646959 2026-07-22 04:47:39 na-prot_8700.pdb -504007.89393 2026-07-22 04:47:57 na-prot_8800.pdb -488796.06518 2026-07-22 04:48:15 na-prot_8900.pdb -766801.70484 2026-07-22 04:48:33 na-prot_9000.pdb -692254.546087 2026-07-22 04:48:51 na-prot_9100.pdb -559234.045893 2026-07-22 04:49:10 na-prot_9200.pdb -530933.236285 2026-07-22 04:49:28 na-prot_9300.pdb -681841.701024 2026-07-22 04:49:47 na-prot_9400.pdb -685751.390957 2026-07-22 04:50:05 na-prot_9500.pdb -650767.328075 2026-07-22 04:50:25 na-prot_9600.pdb -607646.270744 2026-07-22 04:50:43 na-prot_9700.pdb -455526.161969 2026-07-22 04:51:02 na-prot_9800.pdb -609958.457109 2026-07-22 04:51:21 na-prot_9900.pdb -652788.553601 2026-07-22 04:51:39 na-prot_10000.pdb -495966.489761 2026-07-22 04:51:57 na-prot_10100.pdb -788604.740323 2026-07-22 04:52:15 na-prot_10200.pdb -702600.953098 2026-07-22 04:52:33 na-prot_10300.pdb -462285.765954 2026-07-22 04:52:52 na-prot_10400.pdb -669044.554984 2026-07-22 04:53:10 na-prot_10500.pdb -457539.696581 2026-07-22 04:53:29 na-prot_10600.pdb -576773.234296 2026-07-22 04:53:47 na-prot_10700.pdb -1013696.79723 2026-07-22 04:54:05 na-prot_10800.pdb -526405.843725 2026-07-22 04:54:24 na-prot_10900.pdb -651627.201942 2026-07-22 04:54:42 na-prot_11000.pdb -694852.332009 2026-07-22 04:55:00 na-prot_11100.pdb -434235.03318 2026-07-22 04:55:19 na-prot_11200.pdb -502720.744273 2026-07-22 04:55:37 na-prot_11300.pdb -534385.691231 2026-07-22 04:55:55 na-prot_11400.pdb -557493.735374 2026-07-22 04:56:13 na-prot_11500.pdb -432232.215823 2026-07-22 04:56:32 na-prot_11600.pdb -735348.53421 2026-07-22 04:56:50 na-prot_11700.pdb -652282.212212 2026-07-22 04:57:08 na-prot_11800.pdb -772576.532732 2026-07-22 04:57:27 na-prot_11900.pdb -405765.433762 2026-07-22 04:57:45 na-prot_12000.pdb -512151.91478 2026-07-22 04:58:04 na-prot_12100.pdb -686495.018942 2026-07-22 04:58:22 na-prot_12200.pdb -608191.966606 2026-07-22 04:58:40 na-prot_12300.pdb -430570.771237 2026-07-22 04:58:59 na-prot_12400.pdb -542177.043782 2026-07-22 04:59:17 na-prot_12500.pdb -560442.592648 2026-07-22 04:59:36 na-prot_12600.pdb -766907.971522 2026-07-22 04:59:54 na-prot_12700.pdb -553180.165175 2026-07-22 05:00:13 na-prot_12800.pdb -502447.081065 2026-07-22 05:00:31 na-prot_12900.pdb -647307.16501 2026-07-22 05:00:50 na-prot_13000.pdb -538413.980224 2026-07-22 05:01:09 na-prot_13100.pdb -503033.695543 2026-07-22 05:01:28 na-prot_13200.pdb -605579.850318 2026-07-22 05:01:48 na-prot_13300.pdb -757769.38129 2026-07-22 05:02:08 na-prot_13400.pdb -501237.140406 2026-07-22 05:02:26 na-prot_13500.pdb -579250.561541 2026-07-22 05:02:44 na-prot_13600.pdb -675412.159739 2026-07-22 05:03:03 na-prot_13700.pdb -679749.646047 2026-07-22 05:03:22 na-prot_13800.pdb -558333.045328 2026-07-22 05:03:40 na-prot_13900.pdb -747203.381357 2026-07-22 05:03:59 na-prot_14000.pdb -783190.170345 2026-07-22 05:04:17 na-prot_14100.pdb -338708.113253 2026-07-22 05:04:35 na-prot_14200.pdb -551442.417826 2026-07-22 05:04:54 na-prot_14300.pdb -782849.988592 2026-07-22 05:05:12 na-prot_14400.pdb -608652.690776 2026-07-22 05:05:31 na-prot_14500.pdb -479596.895006 2026-07-22 05:05:49 na-prot_14600.pdb -487198.789422 2026-07-22 05:06:08 na-prot_14700.pdb -457736.073292 2026-07-22 05:06:26 na-prot_14800.pdb -777482.510981 2026-07-22 05:06:44 na-prot_14900.pdb -424400.956562 2026-07-22 05:07:03 na-prot_15000.pdb -767685.388259 2026-07-22 05:07:21 na-prot_15100.pdb -700691.65066 2026-07-22 05:07:40 na-prot_15200.pdb -440099.664964 2026-07-22 05:07:58 na-prot_15300.pdb -564065.264691 2026-07-22 05:08:16 na-prot_15400.pdb -384981.67981 2026-07-22 05:08:35 na-prot_15500.pdb -493296.581316 2026-07-22 05:08:53 na-prot_15600.pdb -694028.448865 2026-07-22 05:09:11 na-prot_15700.pdb -584943.979728 2026-07-22 05:09:29 na-prot_15800.pdb -429988.683011 2026-07-22 05:09:47 na-prot_15900.pdb -602341.376595 2026-07-22 05:10:06 na-prot_16000.pdb -523215.693264 2026-07-22 05:10:24 na-prot_16100.pdb -533170.869396 2026-07-22 05:10:42 na-prot_16200.pdb -426605.397871 2026-07-22 05:11:01 na-prot_16300.pdb -454585.907873 2026-07-22 05:11:21 na-prot_16400.pdb -679306.256757 2026-07-22 05:11:39 na-prot_16500.pdb -279291.91945 2026-07-22 05:11:58 na-prot_16600.pdb -545141.925202 2026-07-22 05:12:16 na-prot_16700.pdb -624683.617161 2026-07-22 05:12:35 na-prot_16800.pdb -447406.427879 2026-07-22 05:12:53 na-prot_16900.pdb -619550.971599 2026-07-22 05:13:12 na-prot_17000.pdb -382529.655171 2026-07-22 05:13:31 na-prot_17100.pdb -669270.198362 2026-07-22 05:13:49 na-prot_17200.pdb -551188.835841 2026-07-22 05:14:08 na-prot_17300.pdb -488879.687713 2026-07-22 05:14:26 na-prot_17400.pdb -924940.232304 2026-07-22 05:14:44 na-prot_17500.pdb -519309.142294 2026-07-22 05:15:02 na-prot_17600.pdb -461980.354051 2026-07-22 05:15:20 na-prot_17700.pdb -556565.871448 2026-07-22 05:15:39 na-prot_17800.pdb -521456.016401 2026-07-22 05:15:57 na-prot_17900.pdb -725981.57634 2026-07-22 05:16:15 na-prot_18000.pdb -385230.70613 2026-07-22 05:16:33 na-prot_18100.pdb -619578.395272 2026-07-22 05:16:51 na-prot_18200.pdb -606057.445928 2026-07-22 05:17:10 na-prot_18300.pdb -543393.217676 2026-07-22 05:17:28 na-prot_18400.pdb -350698.181245 2026-07-22 05:17:47 na-prot_18500.pdb -616792.488263 2026-07-22 05:18:05 na-prot_18600.pdb -742070.546142 2026-07-22 05:18:23 na-prot_18700.pdb -454114.497224 2026-07-22 05:18:41 na-prot_18800.pdb -428766.786183 2026-07-22 05:19:00 na-prot_18900.pdb -735444.275916 2026-07-22 05:19:18 na-prot_19000.pdb -548068.797713 2026-07-22 05:19:36 na-prot_19100.pdb -647194.24312 2026-07-22 05:19:54 na-prot_19200.pdb -664381.713343 2026-07-22 05:20:12 na-prot_19300.pdb -728765.441128 2026-07-22 05:20:30 na-prot_19400.pdb -567612.950581 2026-07-22 05:20:48 na-prot_19500.pdb -454728.377365 2026-07-22 05:21:07 na-prot_19600.pdb -585706.93567 2026-07-22 05:21:25 na-prot_19700.pdb -475124.296783 2026-07-22 05:21:43 na-prot_19800.pdb -578731.753633 2026-07-22 05:22:01 na-prot_19900.pdb -612533.92449 2026-07-22 05:22:19 na-prot_20000.pdb -651497.953893 2026-07-22 05:22:19 Varani starts 2026-07-22 05:22:20 na-prot_1000.pdb 271.792 2026-07-22 05:22:50 na-prot_94.pdb 321.336 2026-07-22 05:23:21 na-prot_194.pdb 564.076 2026-07-22 05:23:51 na-prot_294.pdb 126.407 2026-07-22 05:24:21 na-prot_394.pdb 233.576 2026-07-22 05:24:52 na-prot_494.pdb 227.774 2026-07-22 05:25:22 na-prot_594.pdb 350.607 2026-07-22 05:25:52 na-prot_694.pdb 496.713 2026-07-22 05:26:23 na-prot_794.pdb 220.518 2026-07-22 05:26:53 na-prot_894.pdb 200.139 2026-07-22 05:27:23 na-prot_994.pdb 213.184 2026-07-22 05:27:54 na-prot_1100.pdb 350.985 2026-07-22 05:28:25 na-prot_1200.pdb 271.039 2026-07-22 05:28:55 na-prot_1300.pdb 184.864 2026-07-22 05:29:26 na-prot_1400.pdb 241.31 2026-07-22 05:29:57 na-prot_1500.pdb 216.134 2026-07-22 05:30:27 na-prot_1600.pdb 135.312 2026-07-22 05:30:58 na-prot_1700.pdb 341.63 2026-07-22 05:31:28 na-prot_1800.pdb 113.937 2026-07-22 05:31:59 na-prot_1900.pdb -30.915 2026-07-22 05:32:29 na-prot_2000.pdb 367.351 2026-07-22 05:33:00 na-prot_2100.pdb 250.221 2026-07-22 05:33:30 na-prot_2200.pdb 373.612 2026-07-22 05:34:01 na-prot_2300.pdb 97.744 2026-07-22 05:34:31 na-prot_2400.pdb 221.595 2026-07-22 05:35:01 na-prot_2500.pdb 233.579 2026-07-22 05:35:32 na-prot_2600.pdb 135.939 2026-07-22 05:36:02 na-prot_2700.pdb 163.266 2026-07-22 05:36:32 na-prot_2800.pdb 138.001 2026-07-22 05:37:03 na-prot_2900.pdb 260.25 2026-07-22 05:37:33 na-prot_3000.pdb 247.736 2026-07-22 05:38:03 na-prot_3100.pdb 17.085 2026-07-22 05:38:33 na-prot_3200.pdb 206.735 2026-07-22 05:39:02 na-prot_3300.pdb 335.89 2026-07-22 05:39:33 na-prot_3400.pdb 310.937 2026-07-22 05:40:03 na-prot_3500.pdb 102.539 2026-07-22 05:40:34 na-prot_3600.pdb 67.421 2026-07-22 05:41:03 na-prot_3700.pdb 289.346 2026-07-22 05:41:34 na-prot_3800.pdb 263.28 2026-07-22 05:42:04 na-prot_3900.pdb 205.263 2026-07-22 05:42:34 na-prot_4000.pdb 190.441 2026-07-22 05:43:04 na-prot_4100.pdb 119.038 2026-07-22 05:43:35 na-prot_4200.pdb 169.019 2026-07-22 05:44:05 na-prot_4300.pdb 113.242 2026-07-22 05:44:35 na-prot_4400.pdb 339.216 2026-07-22 05:45:06 na-prot_4500.pdb 192.028 2026-07-22 05:45:36 na-prot_4600.pdb 141.837 2026-07-22 05:46:06 na-prot_4700.pdb 220.685 2026-07-22 05:46:36 na-prot_4800.pdb 52.232 2026-07-22 05:47:06 na-prot_4900.pdb 179.322 2026-07-22 05:47:37 na-prot_5000.pdb 55.792 2026-07-22 05:48:07 na-prot_5100.pdb 251.833 2026-07-22 05:48:37 na-prot_5200.pdb 42.742 2026-07-22 05:49:08 na-prot_5300.pdb 3.143 2026-07-22 05:49:38 na-prot_5400.pdb 131.084 2026-07-22 05:50:09 na-prot_5500.pdb 200.479 2026-07-22 05:50:39 na-prot_5600.pdb 242.516 2026-07-22 05:51:09 na-prot_5700.pdb 6.342 2026-07-22 05:51:40 na-prot_5800.pdb 49.935 2026-07-22 05:52:11 na-prot_5900.pdb 157.581 2026-07-22 05:52:41 na-prot_6000.pdb 208.448 2026-07-22 05:53:11 na-prot_6100.pdb 42.779 2026-07-22 05:53:41 na-prot_6200.pdb 111.883 2026-07-22 05:54:12 na-prot_6300.pdb 88.077 2026-07-22 05:54:42 na-prot_6400.pdb 134.444 2026-07-22 05:55:12 na-prot_6500.pdb -15.628 2026-07-22 05:55:42 na-prot_6600.pdb 128.408 2026-07-22 05:56:13 na-prot_6700.pdb -25.881 2026-07-22 05:56:43 na-prot_6800.pdb 91.493 2026-07-22 05:57:14 na-prot_6900.pdb 92.345 2026-07-22 05:57:44 na-prot_7000.pdb 215.109 2026-07-22 05:58:14 na-prot_7100.pdb 171.977 2026-07-22 05:58:44 na-prot_7200.pdb 159.586 2026-07-22 05:59:15 na-prot_7300.pdb 55.561 2026-07-22 05:59:45 na-prot_7400.pdb 4.64 2026-07-22 06:00:15 na-prot_7500.pdb 178.887 2026-07-22 06:00:46 na-prot_7600.pdb 187.342 2026-07-22 06:01:16 na-prot_7700.pdb 30.491 2026-07-22 06:01:47 na-prot_7800.pdb 143.482 2026-07-22 06:02:16 na-prot_7900.pdb 277.177 2026-07-22 06:02:47 na-prot_8000.pdb 193.374 2026-07-22 06:03:17 na-prot_8100.pdb 130.536 2026-07-22 06:03:48 na-prot_8200.pdb 40.094 2026-07-22 06:04:18 na-prot_8300.pdb 205.475 2026-07-22 06:04:48 na-prot_8400.pdb 118.313 2026-07-22 06:05:19 na-prot_8500.pdb 297.909 2026-07-22 06:05:49 na-prot_8600.pdb 200.16 2026-07-22 06:06:20 na-prot_8700.pdb -6.369 2026-07-22 06:06:50 na-prot_8800.pdb 76.357 2026-07-22 06:07:20 na-prot_8900.pdb 224.576 2026-07-22 06:07:50 na-prot_9000.pdb 263.003 2026-07-22 06:08:20 na-prot_9100.pdb 116.794 2026-07-22 06:08:50 na-prot_9200.pdb 233.232 2026-07-22 06:09:21 na-prot_9300.pdb 153.326 2026-07-22 06:09:50 na-prot_9400.pdb 360.019 2026-07-22 06:10:20 na-prot_9500.pdb 412.401 2026-07-22 06:10:51 na-prot_9600.pdb 185.352 2026-07-22 06:11:21 na-prot_9700.pdb 14.789 2026-07-22 06:11:51 na-prot_9800.pdb 166.569 2026-07-22 06:12:22 na-prot_9900.pdb 136.136 2026-07-22 06:12:52 na-prot_10000.pdb 156.688 2026-07-22 06:13:22 na-prot_10100.pdb 100.785 2026-07-22 06:13:53 na-prot_10200.pdb 232.451 2026-07-22 06:14:23 na-prot_10300.pdb 188.915 2026-07-22 06:14:53 na-prot_10400.pdb 259.397 2026-07-22 06:15:23 na-prot_10500.pdb 149.113 2026-07-22 06:15:53 na-prot_10600.pdb 150.194 2026-07-22 06:16:23 na-prot_10700.pdb 46.674 2026-07-22 06:16:54 na-prot_10800.pdb 131.45 2026-07-22 06:17:24 na-prot_10900.pdb 331.433 2026-07-22 06:17:54 na-prot_11000.pdb 178.212 2026-07-22 06:18:26 na-prot_11100.pdb 139.284 2026-07-22 06:18:56 na-prot_11200.pdb 125.58 2026-07-22 06:19:26 na-prot_11300.pdb 134.261 2026-07-22 06:19:57 na-prot_11400.pdb 39.572 2026-07-22 06:20:28 na-prot_11500.pdb 36.686 2026-07-22 06:20:59 na-prot_11600.pdb -2.894 2026-07-22 06:21:29 na-prot_11700.pdb 43.193 2026-07-22 06:21:59 na-prot_11800.pdb 275.604 2026-07-22 06:22:29 na-prot_11900.pdb 35.26 2026-07-22 06:23:00 na-prot_12000.pdb 125.089 2026-07-22 06:23:30 na-prot_12100.pdb 118.686 2026-07-22 06:24:01 na-prot_12200.pdb 441.401 2026-07-22 06:24:31 na-prot_12300.pdb 74.055 2026-07-22 06:25:01 na-prot_12400.pdb 92.908 2026-07-22 06:25:32 na-prot_12500.pdb 108.24 2026-07-22 06:26:03 na-prot_12600.pdb 101.387 2026-07-22 06:26:33 na-prot_12700.pdb 153.666 2026-07-22 06:27:04 na-prot_12800.pdb 83.251 2026-07-22 06:27:34 na-prot_12900.pdb 256.948 2026-07-22 06:28:05 na-prot_13000.pdb 172.55 2026-07-22 06:28:36 na-prot_13100.pdb 42.222 2026-07-22 06:29:07 na-prot_13200.pdb 70.033 2026-07-22 06:29:37 na-prot_13300.pdb 267.748 2026-07-22 06:30:08 na-prot_13400.pdb 104.149 2026-07-22 06:30:38 na-prot_13500.pdb 138.872 2026-07-22 06:31:09 na-prot_13600.pdb 357.36 2026-07-22 06:31:39 na-prot_13700.pdb 231.274 2026-07-22 06:32:10 na-prot_13800.pdb 174.502 2026-07-22 06:32:40 na-prot_13900.pdb 239.021 2026-07-22 06:33:11 na-prot_14000.pdb 585.045 2026-07-22 06:33:41 na-prot_14100.pdb 111.37 2026-07-22 06:34:12 na-prot_14200.pdb 122.357 2026-07-22 06:34:43 na-prot_14300.pdb 304.482 2026-07-22 06:35:13 na-prot_14400.pdb 33.686 2026-07-22 06:35:43 na-prot_14500.pdb 109.559 2026-07-22 06:36:14 na-prot_14600.pdb 131.095 2026-07-22 06:36:45 na-prot_14700.pdb 49.558 2026-07-22 06:37:16 na-prot_14800.pdb 178.447 2026-07-22 06:37:46 na-prot_14900.pdb 46.815 2026-07-22 06:38:17 na-prot_15000.pdb 164.675 2026-07-22 06:38:47 na-prot_15100.pdb 213.416 2026-07-22 06:39:17 na-prot_15200.pdb 26.101 2026-07-22 06:39:48 na-prot_15300.pdb 184.571 2026-07-22 06:40:19 na-prot_15400.pdb 134.973 2026-07-22 06:40:49 na-prot_15500.pdb 140.923 2026-07-22 06:41:20 na-prot_15600.pdb 167.557 2026-07-22 06:41:50 na-prot_15700.pdb 283.826 2026-07-22 06:42:21 na-prot_15800.pdb 243.654 2026-07-22 06:42:51 na-prot_15900.pdb 78.028 2026-07-22 06:43:22 na-prot_16000.pdb 228.033 2026-07-22 06:43:52 na-prot_16100.pdb 106.615 2026-07-22 06:44:23 na-prot_16200.pdb 90.477 2026-07-22 06:44:54 na-prot_16300.pdb 138.95 2026-07-22 06:45:24 na-prot_16400.pdb 5.212 2026-07-22 06:45:55 na-prot_16500.pdb 38.568 2026-07-22 06:46:25 na-prot_16600.pdb 71.064 2026-07-22 06:46:56 na-prot_16700.pdb 240.863 2026-07-22 06:47:27 na-prot_16800.pdb 91.282 2026-07-22 06:47:58 na-prot_16900.pdb -48.241 2026-07-22 06:48:28 na-prot_17000.pdb 87.051 2026-07-22 06:48:59 na-prot_17100.pdb 119.859 2026-07-22 06:49:30 na-prot_17200.pdb 166.844 2026-07-22 06:50:00 na-prot_17300.pdb 232.601 2026-07-22 06:50:31 na-prot_17400.pdb 367.829 2026-07-22 06:51:02 na-prot_17500.pdb 45.477 2026-07-22 06:51:33 na-prot_17600.pdb 243.019 2026-07-22 06:52:03 na-prot_17700.pdb 174.187 2026-07-22 06:52:34 na-prot_17800.pdb 35.697 2026-07-22 06:53:05 na-prot_17900.pdb 60.62 2026-07-22 06:53:35 na-prot_18000.pdb 198.376 2026-07-22 06:54:06 na-prot_18100.pdb 219.799 2026-07-22 06:54:37 na-prot_18200.pdb 188.075 2026-07-22 06:55:08 na-prot_18300.pdb 126.212 2026-07-22 06:55:38 na-prot_18400.pdb 107.461 2026-07-22 06:56:09 na-prot_18500.pdb 231.259 2026-07-22 06:56:40 na-prot_18600.pdb 183.164 2026-07-22 06:57:11 na-prot_18700.pdb 40.154 2026-07-22 06:57:41 na-prot_18800.pdb 52.662 2026-07-22 06:58:12 na-prot_18900.pdb 41.767 2026-07-22 06:58:42 na-prot_19000.pdb 233.886 2026-07-22 06:59:13 na-prot_19100.pdb 96.665 2026-07-22 06:59:44 na-prot_19200.pdb 152.009 2026-07-22 07:00:14 na-prot_19300.pdb 195.234 2026-07-22 07:00:45 na-prot_19400.pdb 153.756 2026-07-22 07:01:15 na-prot_19500.pdb 6.249 2026-07-22 07:01:46 na-prot_19600.pdb 133.218 2026-07-22 07:02:16 na-prot_19700.pdb 83.169 2026-07-22 07:02:47 na-prot_19800.pdb 144.768 2026-07-22 07:03:17 na-prot_19900.pdb 217.105 2026-07-22 07:03:48 na-prot_20000.pdb 197.487 2026-07-22 07:03:48 DFIRE starts 2026-07-22 07:03:49 na-prot_1000.pdb -62.829058 2026-07-22 07:04:28 na-prot_94.pdb -73.319569 2026-07-22 07:05:07 na-prot_194.pdb -91.873149 2026-07-22 07:05:46 na-prot_294.pdb -79.378219 2026-07-22 07:06:25 na-prot_394.pdb -97.136091 2026-07-22 07:07:05 na-prot_494.pdb -66.743913 2026-07-22 07:07:45 na-prot_594.pdb -65.351625 2026-07-22 07:08:25 na-prot_694.pdb -76.805322 2026-07-22 07:09:04 na-prot_794.pdb -86.017245 2026-07-22 07:09:43 na-prot_894.pdb -64.292373 2026-07-22 07:10:23 na-prot_994.pdb -83.958399 2026-07-22 07:11:03 na-prot_1100.pdb -78.664746 2026-07-22 07:11:44 na-prot_1200.pdb -93.735323 2026-07-22 07:12:24 na-prot_1300.pdb -62.495760 2026-07-22 07:13:04 na-prot_1400.pdb -89.581541 2026-07-22 07:13:44 na-prot_1500.pdb -77.920056 2026-07-22 07:14:24 na-prot_1600.pdb -64.050771 2026-07-22 07:15:03 na-prot_1700.pdb -56.924271 2026-07-22 07:15:43 na-prot_1800.pdb -58.127451 2026-07-22 07:16:22 na-prot_1900.pdb -63.055105 2026-07-22 07:17:02 na-prot_2000.pdb -97.853656 2026-07-22 07:17:41 na-prot_2100.pdb -74.422412 2026-07-22 07:18:20 na-prot_2200.pdb -76.318207 2026-07-22 07:18:59 na-prot_2300.pdb -58.929205 2026-07-22 07:19:38 na-prot_2400.pdb -57.553367 2026-07-22 07:20:18 na-prot_2500.pdb -57.798666 2026-07-22 07:20:57 na-prot_2600.pdb -60.290350 2026-07-22 07:21:37 na-prot_2700.pdb -54.539054 2026-07-22 07:22:16 na-prot_2800.pdb -49.266905 2026-07-22 07:22:56 na-prot_2900.pdb -53.996347 2026-07-22 07:23:34 na-prot_3000.pdb -66.298238 2026-07-22 07:24:14 na-prot_3100.pdb -57.873652 2026-07-22 07:24:53 na-prot_3200.pdb -58.591593 2026-07-22 07:25:33 na-prot_3300.pdb -73.331989 2026-07-22 07:26:14 na-prot_3400.pdb -63.522588 2026-07-22 07:26:53 na-prot_3500.pdb -45.925490 2026-07-22 07:27:33 na-prot_3600.pdb -46.546688 2026-07-22 07:28:12 na-prot_3700.pdb -96.376614 2026-07-22 07:28:51 na-prot_3800.pdb -72.993365 2026-07-22 07:29:30 na-prot_3900.pdb -62.917594 2026-07-22 07:30:10 na-prot_4000.pdb -71.209792 2026-07-22 07:30:49 na-prot_4100.pdb -61.932480 2026-07-22 07:31:29 na-prot_4200.pdb -53.343976 2026-07-22 07:32:08 na-prot_4300.pdb -45.388582 2026-07-22 07:32:48 na-prot_4400.pdb -68.030032 2026-07-22 07:33:27 na-prot_4500.pdb -57.554450 2026-07-22 07:34:06 na-prot_4600.pdb -59.846780 2026-07-22 07:34:45 na-prot_4700.pdb -59.313134 2026-07-22 07:35:25 na-prot_4800.pdb -51.306613 2026-07-22 07:36:04 na-prot_4900.pdb -62.741223 2026-07-22 07:36:43 na-prot_5000.pdb -59.870969 2026-07-22 07:37:22 na-prot_5100.pdb -80.193640 2026-07-22 07:38:01 na-prot_5200.pdb -62.366756 2026-07-22 07:38:41 na-prot_5300.pdb -46.249753 2026-07-22 07:39:20 na-prot_5400.pdb -38.789312 2026-07-22 07:40:01 na-prot_5500.pdb -50.270417 2026-07-22 07:40:40 na-prot_5600.pdb -62.922631 2026-07-22 07:41:18 na-prot_5700.pdb -56.788689 2026-07-22 07:41:57 na-prot_5800.pdb -66.112215 2026-07-22 07:42:36 na-prot_5900.pdb -50.843829 2026-07-22 07:43:16 na-prot_6000.pdb -45.672540 2026-07-22 07:43:56 na-prot_6100.pdb -51.023483 2026-07-22 07:44:35 na-prot_6200.pdb -47.028406 2026-07-22 07:45:13 na-prot_6300.pdb -43.531786 2026-07-22 07:45:52 na-prot_6400.pdb -59.161284 2026-07-22 07:46:31 na-prot_6500.pdb -58.751935 2026-07-22 07:47:10 na-prot_6600.pdb -50.630958 2026-07-22 07:47:49 na-prot_6700.pdb -42.151897 2026-07-22 07:48:28 na-prot_6800.pdb -59.444682 2026-07-22 07:49:07 na-prot_6900.pdb -54.732124 2026-07-22 07:49:46 na-prot_7000.pdb -74.045206 2026-07-22 07:50:25 na-prot_7100.pdb -48.333210 2026-07-22 07:51:04 na-prot_7200.pdb -51.041321 2026-07-22 07:51:43 na-prot_7300.pdb -62.410885 2026-07-22 07:52:22 na-prot_7400.pdb -37.310339 2026-07-22 07:53:01 na-prot_7500.pdb -55.310923 2026-07-22 07:53:40 na-prot_7600.pdb -63.217235 2026-07-22 07:54:20 na-prot_7700.pdb -73.038910 2026-07-22 07:54:59 na-prot_7800.pdb -48.271023 2026-07-22 07:55:39 na-prot_7900.pdb -63.174234 2026-07-22 07:56:19 na-prot_8000.pdb -56.684696 2026-07-22 07:56:59 na-prot_8100.pdb -66.006350 2026-07-22 07:57:38 na-prot_8200.pdb -65.656579 2026-07-22 07:58:18 na-prot_8300.pdb -57.836967 2026-07-22 07:58:57 na-prot_8400.pdb -57.636031 2026-07-22 07:59:37 na-prot_8500.pdb -72.719513 2026-07-22 08:00:18 na-prot_8600.pdb -44.378302 2026-07-22 08:00:57 na-prot_8700.pdb -51.985067 2026-07-22 08:01:36 na-prot_8800.pdb -50.562332 2026-07-22 08:02:16 na-prot_8900.pdb -70.448079 2026-07-22 08:02:55 na-prot_9000.pdb -68.601289 2026-07-22 08:03:34 na-prot_9100.pdb -59.972244 2026-07-22 08:04:13 na-prot_9200.pdb -64.230468 2026-07-22 08:04:52 na-prot_9300.pdb -52.033596 2026-07-22 08:05:31 na-prot_9400.pdb -73.235601 2026-07-22 08:06:10 na-prot_9500.pdb -68.045089 2026-07-22 08:06:49 na-prot_9600.pdb -57.561605 2026-07-22 08:07:28 na-prot_9700.pdb -50.483422 2026-07-22 08:08:08 na-prot_9800.pdb -50.550209 2026-07-22 08:08:46 na-prot_9900.pdb -77.312763 2026-07-22 08:09:25 na-prot_10000.pdb -58.216724 2026-07-22 08:10:05 na-prot_10100.pdb -84.123351 2026-07-22 08:10:44 na-prot_10200.pdb -55.144013 2026-07-22 08:11:24 na-prot_10300.pdb -43.412719 2026-07-22 08:12:02 na-prot_10400.pdb -55.606915 2026-07-22 08:12:42 na-prot_10500.pdb -56.059034 2026-07-22 08:13:21 na-prot_10600.pdb -53.277910 2026-07-22 08:14:01 na-prot_10700.pdb -76.359891 2026-07-22 08:14:41 na-prot_10800.pdb -45.621765 2026-07-22 08:15:20 na-prot_10900.pdb -63.081754 2026-07-22 08:15:59 na-prot_11000.pdb -67.448281 2026-07-22 08:16:39 na-prot_11100.pdb -47.655135 2026-07-22 08:17:18 na-prot_11200.pdb -49.972669 2026-07-22 08:17:58 na-prot_11300.pdb -51.238119 2026-07-22 08:18:37 na-prot_11400.pdb -50.091777 2026-07-22 08:19:16 na-prot_11500.pdb -37.666342 2026-07-22 08:19:56 na-prot_11600.pdb -62.085374 2026-07-22 08:20:35 na-prot_11700.pdb -56.759010 2026-07-22 08:21:15 na-prot_11800.pdb -53.794608 2026-07-22 08:21:53 na-prot_11900.pdb -41.736820 2026-07-22 08:22:32 na-prot_12000.pdb -42.225044 2026-07-22 08:23:11 na-prot_12100.pdb -52.641105 2026-07-22 08:23:51 na-prot_12200.pdb -67.047878 2026-07-22 08:24:31 na-prot_12300.pdb -43.639831 2026-07-22 08:25:10 na-prot_12400.pdb -50.570752 2026-07-22 08:25:50 na-prot_12500.pdb -46.372190 2026-07-22 08:26:30 na-prot_12600.pdb -59.624761 2026-07-22 08:27:09 na-prot_12700.pdb -47.485526 2026-07-22 08:27:49 na-prot_12800.pdb -53.575075 2026-07-22 08:28:28 na-prot_12900.pdb -55.864171 2026-07-22 08:29:07 na-prot_13000.pdb -55.514370 2026-07-22 08:29:47 na-prot_13100.pdb -40.046189 2026-07-22 08:30:26 na-prot_13200.pdb -56.806222 2026-07-22 08:31:06 na-prot_13300.pdb -58.652319 2026-07-22 08:31:45 na-prot_13400.pdb -40.208096 2026-07-22 08:32:25 na-prot_13500.pdb -56.829266 2026-07-22 08:33:05 na-prot_13600.pdb -81.404334 2026-07-22 08:33:44 na-prot_13700.pdb -70.554573 2026-07-22 08:34:25 na-prot_13800.pdb -51.877237 2026-07-22 08:35:05 na-prot_13900.pdb -60.617912 2026-07-22 08:35:44 na-prot_14000.pdb -77.234561 2026-07-22 08:36:25 na-prot_14100.pdb -42.186896 2026-07-22 08:37:03 na-prot_14200.pdb -52.896495 2026-07-22 08:37:42 na-prot_14300.pdb -74.690169 2026-07-22 08:38:22 na-prot_14400.pdb -56.496240 2026-07-22 08:39:01 na-prot_14500.pdb -43.084003 2026-07-22 08:39:41 na-prot_14600.pdb -46.799860 2026-07-22 08:40:20 na-prot_14700.pdb -40.837206 2026-07-22 08:40:59 na-prot_14800.pdb -62.390304 2026-07-22 08:41:38 na-prot_14900.pdb -41.014848 2026-07-22 08:42:18 na-prot_15000.pdb -49.241739 2026-07-22 08:42:58 na-prot_15100.pdb -67.118420 2026-07-22 08:43:39 na-prot_15200.pdb -35.565142 2026-07-22 08:44:18 na-prot_15300.pdb -45.726084 2026-07-22 08:44:57 na-prot_15400.pdb -49.805489 2026-07-22 08:45:37 na-prot_15500.pdb -47.360717 2026-07-22 08:46:16 na-prot_15600.pdb -88.449992 2026-07-22 08:46:56 na-prot_15700.pdb -54.470258 2026-07-22 08:47:36 na-prot_15800.pdb -49.803323 2026-07-22 08:48:15 na-prot_15900.pdb -48.985670 2026-07-22 08:48:55 na-prot_16000.pdb -46.334611 2026-07-22 08:49:34 na-prot_16100.pdb -43.249714 2026-07-22 08:50:14 na-prot_16200.pdb -39.046022 2026-07-22 08:50:53 na-prot_16300.pdb -40.483444 2026-07-22 08:51:32 na-prot_16400.pdb -58.070152 2026-07-22 08:52:11 na-prot_16500.pdb -41.935245 2026-07-22 08:52:50 na-prot_16600.pdb -44.857420 2026-07-22 08:53:29 na-prot_16700.pdb -53.227275 2026-07-22 08:54:08 na-prot_16800.pdb -42.881715 2026-07-22 08:54:47 na-prot_16900.pdb -54.386831 2026-07-22 08:55:27 na-prot_17000.pdb -45.169877 2026-07-22 08:56:06 na-prot_17100.pdb -59.019238 2026-07-22 08:56:45 na-prot_17200.pdb -68.647035 2026-07-22 08:57:24 na-prot_17300.pdb -57.009582 2026-07-22 08:58:03 na-prot_17400.pdb -82.079659 2026-07-22 08:58:42 na-prot_17500.pdb -49.896964 2026-07-22 08:59:22 na-prot_17600.pdb -48.817795 2026-07-22 09:00:01 na-prot_17700.pdb -45.434509 2026-07-22 09:00:41 na-prot_17800.pdb -48.788765 2026-07-22 09:01:19 na-prot_17900.pdb -55.269476 2026-07-22 09:01:58 na-prot_18000.pdb -32.585925 2026-07-22 09:02:38 na-prot_18100.pdb -45.393847 2026-07-22 09:03:17 na-prot_18200.pdb -67.654625 2026-07-22 09:03:56 na-prot_18300.pdb -45.205335 2026-07-22 09:04:35 na-prot_18400.pdb -39.161557 2026-07-22 09:05:13 na-prot_18500.pdb -63.082528 2026-07-22 09:05:53 na-prot_18600.pdb -58.494179 2026-07-22 09:06:32 na-prot_18700.pdb -49.120429 2026-07-22 09:07:12 na-prot_18800.pdb -48.642776 2026-07-22 09:07:51 na-prot_18900.pdb -52.052692 2026-07-22 09:08:30 na-prot_19000.pdb -63.109691 2026-07-22 09:09:10 na-prot_19100.pdb -56.904196 2026-07-22 09:09:49 na-prot_19200.pdb -66.376783 2026-07-22 09:10:29 na-prot_19300.pdb -60.443708 2026-07-22 09:11:08 na-prot_19400.pdb -48.110199 2026-07-22 09:11:47 na-prot_19500.pdb -46.133236 2026-07-22 09:12:26 na-prot_19600.pdb -50.340634 2026-07-22 09:13:06 na-prot_19700.pdb -37.121878 2026-07-22 09:13:45 na-prot_19800.pdb -52.434829 2026-07-22 09:14:24 na-prot_19900.pdb -59.577409 2026-07-22 09:15:03 na-prot_20000.pdb -41.083410 2026-07-22 09:15:03 QDV-DNP (meta-scoring) starts 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_94.pdb -3.02372042536 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_194.pdb -3.91343812007 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_294.pdb -3.64296040146 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_394.pdb -4.7378985646 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_494.pdb -2.49513338633 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_594.pdb -1.95928321046 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_694.pdb -2.25153929885 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_794.pdb -3.97713692512 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_894.pdb -2.1523598374 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_994.pdb -4.09320685054 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_1100.pdb -3.15038647512 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_1200.pdb -4.57605500414 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_1300.pdb -2.23569236175 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_1400.pdb -4.29557849646 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_1500.pdb -3.05506461449 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_1600.pdb -2.29926659801 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_1700.pdb -1.38095207402 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_1800.pdb -1.71507827359 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_1900.pdb -2.54872752889 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_2000.pdb -4.515567136 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_2100.pdb -3.09179260519 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_2200.pdb -2.84618599911 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_2300.pdb -1.90165800651 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_2400.pdb -1.68951959829 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_2500.pdb -1.35827466626 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_2600.pdb -2.00065356523 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_2700.pdb -1.84805724264 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_2800.pdb -0.925622479082 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_2900.pdb -1.32679102573 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_3000.pdb -2.3542578927 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_3100.pdb -1.92679574839 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_3200.pdb -1.76286252044 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_3300.pdb -2.95797191819 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_3400.pdb -2.09340473624 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_3500.pdb -0.973345518268 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_3600.pdb -1.22294697266 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_3700.pdb -4.81006173103 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_3800.pdb -2.83188637048 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_3900.pdb -2.0719277676 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_4000.pdb -2.78977693604 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_4100.pdb -2.014466015 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_4200.pdb -1.43184980378 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_4300.pdb -0.812870801183 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_4400.pdb -2.23855639893 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_4500.pdb -1.66866852237 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_4600.pdb -1.69825496797 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_4700.pdb -1.48974482637 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_4800.pdb -1.38827506842 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_4900.pdb -2.12622281276 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_5000.pdb -2.03352090388 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_5100.pdb -3.62577406077 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_5200.pdb -2.38282872363 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_5300.pdb -1.07447290518 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_5400.pdb -0.354777859247 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_5500.pdb -1.04535997262 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_5600.pdb -2.00975855992 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_5700.pdb -1.91915044642 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_5800.pdb -2.63576350403 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_5900.pdb -0.993077529582 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_6000.pdb -0.676069851355 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_6100.pdb -1.69642995982 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_6200.pdb -0.787386193878 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_6300.pdb -0.855622143858 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_6400.pdb -1.66650786629 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_6500.pdb -2.43406581888 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_6600.pdb -1.19958571141 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_6700.pdb -0.99900607065 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_6800.pdb -2.21877431323 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_6900.pdb -1.74310238971 2026-07-22 09:15:03 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_7000.pdb -3.42703475303 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_7100.pdb -0.918639452716 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_7200.pdb -1.13573703171 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_7300.pdb -2.15402110642 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_7400.pdb -0.391663758815 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_7500.pdb -1.53249878898 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_7600.pdb -2.04152390931 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_7700.pdb -3.46912889828 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_7800.pdb -0.98637115 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_7900.pdb -1.89138601389 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_8000.pdb -1.55974170045 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_8100.pdb -2.49078310499 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_8200.pdb -2.55784580225 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_8300.pdb -1.80652849047 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_8400.pdb -1.62761317417 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_8500.pdb -2.89268718626 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_8600.pdb -0.6000375341 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_8700.pdb -1.55025595237 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_8800.pdb -1.2409464689 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_8900.pdb -2.70369242348 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_9000.pdb -2.36624351534 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_9100.pdb -1.89703164567 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_9200.pdb -1.8682292068 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_9300.pdb -1.49159339387 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_9400.pdb -2.44380777658 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_9500.pdb -1.91834929636 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_9600.pdb -1.66199750691 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_9700.pdb -1.31944662561 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_9800.pdb -1.24031033075 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_9900.pdb -3.17021453342 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_10000.pdb -1.58148501423 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_10100.pdb -3.93626584255 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_10200.pdb -1.55438427776 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_10300.pdb -0.461918489635 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_10400.pdb -1.4669675707 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_10500.pdb -1.38936731249 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_10600.pdb -1.40350517974 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_10700.pdb -3.92297009346 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_10800.pdb -0.849235204288 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_10900.pdb -1.77266953892 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_11000.pdb -2.48677197356 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_11100.pdb -0.810773782484 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_11200.pdb -1.11306516948 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_11300.pdb -1.23157926591 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_11400.pdb -1.40991504253 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_11500.pdb -0.373778942424 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_11600.pdb -2.60978449666 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_11700.pdb -2.00797219505 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_11800.pdb -1.48471916 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_11900.pdb -0.60403018974 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_12000.pdb -0.612610798012 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_12100.pdb -1.6189835864 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_12200.pdb -1.71340128569 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_12300.pdb -0.684895984107 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_12400.pdb -1.29441933269 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_12500.pdb -1.01001362004 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_12600.pdb -2.26143136165 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_12700.pdb -0.968586536602 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_12800.pdb -1.44968159576 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_12900.pdb -1.45283390144 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_13000.pdb -1.43687435065 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_13100.pdb -0.640337203685 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_13200.pdb -1.87071196288 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_13300.pdb -1.80200034125 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_13400.pdb -0.507040079509 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_13500.pdb -1.67074990995 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_13600.pdb -2.97802836691 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_13700.pdb -2.54778218008 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_13800.pdb -1.22326016297 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_13900.pdb -1.98081424382 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_14000.pdb -2.36376971821 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_14100.pdb -0.346899348554 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_14200.pdb -1.39843669547 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_14300.pdb -2.83230926432 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_14400.pdb -1.93801455103 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_14500.pdb -0.650108829911 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_14600.pdb -0.862194442629 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_14700.pdb -0.599579764656 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_14800.pdb -2.28859861275 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_14900.pdb -0.561110516326 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_15000.pdb -1.42494685697 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_15100.pdb -2.39445618803 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_15200.pdb -0.270874082478 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_15300.pdb -0.799124980552 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_15400.pdb -0.880643223556 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_15500.pdb -0.88762612173 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_15600.pdb -3.91266857977 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_15700.pdb -1.19262884132 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_15800.pdb -0.709331091653 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_15900.pdb -1.32454920421 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_16000.pdb -0.671435062689 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_16100.pdb -0.758824901529 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_16200.pdb -0.333866738441 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_16300.pdb -0.366972917875 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_16400.pdb -2.22795259162 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_16500.pdb -0.395067256181 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_16600.pdb -0.96753020242 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_16700.pdb -1.27491304256 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_16800.pdb -0.623586232425 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_16900.pdb -2.00221624642 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_17000.pdb -0.675959640722 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_17100.pdb -2.01316581295 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_17200.pdb -2.34888749977 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_17300.pdb -1.31588952189 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_17400.pdb -3.42285959778 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_17500.pdb -1.31863275581 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_17600.pdb -0.699243651909 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_17700.pdb -0.790570101893 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_17800.pdb -1.27052140407 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_17900.pdb -1.99386806159 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_18000.pdb 0.413716891554 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_18100.pdb -0.790914995451 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_18200.pdb -2.32736428898 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_18300.pdb -0.862182517398 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_18400.pdb -0.174047856394 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_18500.pdb -1.94177757799 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_18600.pdb -1.95746191243 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_18700.pdb -1.16821628607 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_18800.pdb -1.06478787256 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_18900.pdb -1.83797794406 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_19000.pdb -1.82095258933 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_19100.pdb -1.88723066551 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_19200.pdb -2.42315564577 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_19300.pdb -2.03762147771 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_19400.pdb -1.03461199005 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_19500.pdb -1.04693056551 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_19600.pdb -1.26111407868 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_19700.pdb -0.304329572406 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_19800.pdb -1.3628673761 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_19900.pdb -1.73263003783 2026-07-22 09:15:04 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_20000.pdb -0.607961984016 2026-07-22 09:15:04 [..]7421804) ('/home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_19994.pdb', -0.5363190745817731) ('/home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_19995.pdb', -2.8800212049361438) ('/home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_19996.pdb', -1.6943176111834117) ('/home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_19997.pdb', -2.5721229559135277) ('/home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_19998.pdb', -0.9949347389080537) ('/home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_19999.pdb', -1.237231467107216) ('/home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_20000.pdb', -0.6079619840160679) 16505.98user 1073.34system 4:55:52elapsed 99%CPU (0avgtext+0avgdata 241844maxresident)k 7953352inputs+11205072outputs (33major+194043792minor)pagefaults 0swaps 2026-07-22 09:15:04 Clustering (cuttoff: 5, nr_clust: 100 ) in progress... 2026-07-22 09:15:04 time python /home/rpdock/run_gramm//clustering_v4.py dars_out.txt list.txt 5 100 2026-07-22 09:15:04 100 best scored structures 2026-07-22 09:15:04 1 na-prot_4729.pdb -5.95355257248 2026-07-22 09:15:04 2 na-prot_2432.pdb -5.90536610572 2026-07-22 09:15:04 3 na-prot_2639.pdb -5.90105952554 2026-07-22 09:15:04 4 na-prot_5787.pdb -5.89300300326 2026-07-22 09:15:04 5 na-prot_13502.pdb -5.81695560417 2026-07-22 09:15:04 6 na-prot_619.pdb -5.79380340247 2026-07-22 09:15:04 7 na-prot_2250.pdb -5.76607050804 2026-07-22 09:15:04 8 na-prot_424.pdb -5.76369737128 2026-07-22 09:15:04 9 na-prot_13468.pdb -5.73050033044 2026-07-22 09:15:04 10 na-prot_3004.pdb -5.62884730617 2026-07-22 09:15:04 11 na-prot_12549.pdb -5.59982576819 2026-07-22 09:15:04 12 na-prot_5166.pdb -5.57832308952 2026-07-22 09:15:04 13 na-prot_11881.pdb -5.56524161913 2026-07-22 09:15:04 14 na-prot_6588.pdb -5.5648708233 2026-07-22 09:15:04 15 na-prot_13938.pdb -5.55738002572 2026-07-22 09:15:04 16 na-prot_1996.pdb -5.54126793319 2026-07-22 09:15:04 17 na-prot_5226.pdb -5.52779350664 2026-07-22 09:15:04 18 na-prot_7939.pdb -5.47477359532 2026-07-22 09:15:04 19 na-prot_7907.pdb -5.43564876708 2026-07-22 09:15:04 20 na-prot_6951.pdb -5.43508108691 2026-07-22 09:15:04 21 na-prot_4837.pdb -5.41741163051 2026-07-22 09:15:04 22 na-prot_4052.pdb -5.40706368612 2026-07-22 09:15:04 23 na-prot_6206.pdb -5.39369481526 2026-07-22 09:15:04 24 na-prot_3295.pdb -5.34505281344 2026-07-22 09:15:04 25 na-prot_14328.pdb -5.31073065565 2026-07-22 09:15:04 26 na-prot_354.pdb -5.27889334848 2026-07-22 09:15:04 27 na-prot_17361.pdb -5.2731089752 2026-07-22 09:15:04 28 na-prot_469.pdb -5.27308193433 2026-07-22 09:15:04 29 na-prot_775.pdb -5.2653161094 2026-07-22 09:15:04 30 na-prot_14182.pdb -5.26252813661 2026-07-22 09:15:04 31 na-prot_19440.pdb -5.24296160654 2026-07-22 09:15:04 32 na-prot_14937.pdb -5.24203226689 2026-07-22 09:15:04 33 na-prot_15580.pdb -5.24107967172 2026-07-22 09:15:04 34 na-prot_674.pdb -5.23851633142 2026-07-22 09:15:04 35 na-prot_3284.pdb -5.22704183088 2026-07-22 09:15:04 36 na-prot_4424.pdb -5.19166529236 2026-07-22 09:15:04 37 na-prot_4488.pdb -5.17452423068 2026-07-22 09:15:04 38 na-prot_2117.pdb -5.1559259186 2026-07-22 09:15:04 39 na-prot_3668.pdb -5.15068880802 2026-07-22 09:15:04 40 na-prot_11413.pdb -5.13823863512 2026-07-22 09:15:04 41 na-prot_688.pdb -5.11219634341 2026-07-22 09:15:04 42 na-prot_8704.pdb -5.09699731464 2026-07-22 09:15:04 43 na-prot_3401.pdb -5.08676238922 2026-07-22 09:15:04 44 na-prot_1389.pdb -5.08675597376 2026-07-22 09:15:04 45 na-prot_998.pdb -5.07145374683 2026-07-22 09:15:04 46 na-prot_12952.pdb -5.06848492906 2026-07-22 09:15:04 47 na-prot_28.pdb -5.05783090513 2026-07-22 09:15:04 48 na-prot_4957.pdb -5.04745904299 2026-07-22 09:15:04 49 na-prot_9936.pdb -5.04057395756 2026-07-22 09:15:04 50 na-prot_2645.pdb -5.03031445564 2026-07-22 09:15:04 51 na-prot_7842.pdb -5.0285238843 2026-07-22 09:15:04 52 na-prot_4485.pdb -5.02744346987 2026-07-22 09:15:04 53 na-prot_3595.pdb -5.01797650891 2026-07-22 09:15:04 54 na-prot_11334.pdb -5.01302509701 2026-07-22 09:15:04 55 na-prot_11318.pdb -5.00949786367 2026-07-22 09:15:04 56 na-prot_18966.pdb -5.00402203952 2026-07-22 09:15:04 57 na-prot_5697.pdb -4.99484090992 2026-07-22 09:15:04 58 na-prot_3551.pdb -4.98658333692 2026-07-22 09:15:04 59 na-prot_185.pdb -4.98231821661 2026-07-22 09:15:04 60 na-prot_7903.pdb -4.95813188266 2026-07-22 09:15:04 61 na-prot_11690.pdb -4.95671358685 2026-07-22 09:15:04 62 na-prot_19416.pdb -4.94498781621 2026-07-22 09:15:04 63 na-prot_19648.pdb -4.93106676242 2026-07-22 09:15:04 64 na-prot_7582.pdb -4.92894091516 2026-07-22 09:15:04 65 na-prot_2130.pdb -4.92430492084 2026-07-22 09:15:04 66 na-prot_16373.pdb -4.92351035872 2026-07-22 09:15:04 67 na-prot_4843.pdb -4.91916156608 2026-07-22 09:15:04 68 na-prot_616.pdb -4.9095391343 2026-07-22 09:15:04 69 na-prot_6874.pdb -4.90395929285 2026-07-22 09:15:04 70 na-prot_3097.pdb -4.88641411931 2026-07-22 09:15:04 71 na-prot_170.pdb -4.8808344952 2026-07-22 09:15:04 72 na-prot_11402.pdb -4.87222921301 2026-07-22 09:15:04 73 na-prot_3852.pdb -4.86599165481 2026-07-22 09:15:04 74 na-prot_984.pdb -4.85540928026 2026-07-22 09:15:04 75 na-prot_7082.pdb -4.85118603959 2026-07-22 09:15:04 76 na-prot_1924.pdb -4.84513788769 2026-07-22 09:15:04 77 na-prot_6826.pdb -4.83896825356 2026-07-22 09:15:04 78 na-prot_4160.pdb -4.8371997165 2026-07-22 09:15:04 79 na-prot_510.pdb -4.83649609807 2026-07-22 09:15:04 80 na-prot_14987.pdb -4.83144897913 2026-07-22 09:15:04 81 na-prot_14.pdb -4.81461165707 2026-07-22 09:15:04 82 na-prot_3700.pdb -4.81006173103 2026-07-22 09:15:04 83 na-prot_5997.pdb -4.80848802778 2026-07-22 09:15:04 84 na-prot_8350.pdb -4.80003210412 2026-07-22 09:15:04 85 na-prot_941.pdb -4.79928236127 2026-07-22 09:15:04 86 na-prot_1483.pdb -4.7991938047 2026-07-22 09:15:04 87 na-prot_6307.pdb -4.79198751331 2026-07-22 09:15:04 88 na-prot_4747.pdb -4.78013891215 2026-07-22 09:15:04 89 na-prot_19874.pdb -4.77837566451 2026-07-22 09:15:04 90 na-prot_1472.pdb -4.75429582288 2026-07-22 09:15:04 91 na-prot_1195.pdb -4.75355454561 2026-07-22 09:15:04 92 na-prot_1395.pdb -4.75146544346 2026-07-22 09:15:04 93 na-prot_11194.pdb -4.74576797603 2026-07-22 09:15:04 94 na-prot_394.pdb -4.7378985646 2026-07-22 09:15:04 95 na-prot_9127.pdb -4.73361351909 2026-07-22 09:15:04 96 na-prot_2745.pdb -4.72965998934 2026-07-22 09:15:04 97 na-prot_532.pdb -4.72827334345 2026-07-22 09:15:04 98 na-prot_865.pdb -4.72230635827 2026-07-22 09:15:04 99 na-prot_296.pdb -4.71966270922 2026-07-22 09:15:04 100 na-prot_4168.pdb -4.71203670767 2026-07-22 09:15:04 Chains: A 2026-07-22 09:15:28 100 best scored structures 2026-07-22 09:15:28 GRAMM analysis selected for further analysis: prot-na_10 2026-07-22 09:15:28 Cluster #1 with 100 structures 2026-07-22 09:15:28 1 na-prot_4729.pdb -5.95355257248 2026-07-22 09:15:28 2 na-prot_2432.pdb -5.90536610572 2026-07-22 09:15:28 3 na-prot_2639.pdb -5.90105952554 2026-07-22 09:15:28 4 na-prot_5787.pdb -5.89300300326 2026-07-22 09:15:28 5 na-prot_13502.pdb -5.81695560417 2026-07-22 09:15:28 6 na-prot_619.pdb -5.79380340247 2026-07-22 09:15:28 7 na-prot_2250.pdb -5.76607050804 2026-07-22 09:15:28 8 na-prot_424.pdb -5.76369737128 2026-07-22 09:15:28 9 na-prot_13468.pdb -5.73050033044 2026-07-22 09:15:28 10 na-prot_3004.pdb -5.62884730617 2026-07-22 09:15:28 11 na-prot_12549.pdb -5.59982576819 2026-07-22 09:15:28 12 na-prot_5166.pdb -5.57832308952 2026-07-22 09:15:28 13 na-prot_11881.pdb -5.56524161913 2026-07-22 09:15:28 14 na-prot_6588.pdb -5.5648708233 2026-07-22 09:15:28 15 na-prot_13938.pdb -5.55738002572 2026-07-22 09:15:28 16 na-prot_1996.pdb -5.54126793319 2026-07-22 09:15:28 17 na-prot_5226.pdb -5.52779350664 2026-07-22 09:15:28 18 na-prot_7939.pdb -5.47477359532 2026-07-22 09:15:28 19 na-prot_7907.pdb -5.43564876708 2026-07-22 09:15:28 20 na-prot_6951.pdb -5.43508108691 2026-07-22 09:15:28 21 na-prot_4837.pdb -5.41741163051 2026-07-22 09:15:28 22 na-prot_4052.pdb -5.40706368612 2026-07-22 09:15:28 23 na-prot_6206.pdb -5.39369481526 2026-07-22 09:15:28 24 na-prot_3295.pdb -5.34505281344 2026-07-22 09:15:28 25 na-prot_14328.pdb -5.31073065565 2026-07-22 09:15:28 26 na-prot_354.pdb -5.27889334848 2026-07-22 09:15:28 27 na-prot_17361.pdb -5.2731089752 2026-07-22 09:15:28 28 na-prot_469.pdb -5.27308193433 2026-07-22 09:15:28 29 na-prot_775.pdb -5.2653161094 2026-07-22 09:15:28 30 na-prot_14182.pdb -5.26252813661 2026-07-22 09:15:28 31 na-prot_19440.pdb -5.24296160654 2026-07-22 09:15:28 32 na-prot_14937.pdb -5.24203226689 2026-07-22 09:15:28 33 na-prot_15580.pdb -5.24107967172 2026-07-22 09:15:28 34 na-prot_674.pdb -5.23851633142 2026-07-22 09:15:28 35 na-prot_3284.pdb -5.22704183088 2026-07-22 09:15:28 36 na-prot_4424.pdb -5.19166529236 2026-07-22 09:15:28 37 na-prot_4488.pdb -5.17452423068 2026-07-22 09:15:28 38 na-prot_2117.pdb -5.1559259186 2026-07-22 09:15:28 39 na-prot_3668.pdb -5.15068880802 2026-07-22 09:15:28 40 na-prot_11413.pdb -5.13823863512 2026-07-22 09:15:28 41 na-prot_688.pdb -5.11219634341 2026-07-22 09:15:28 42 na-prot_8704.pdb -5.09699731464 2026-07-22 09:15:28 43 na-prot_3401.pdb -5.08676238922 2026-07-22 09:15:28 44 na-prot_1389.pdb -5.08675597376 2026-07-22 09:15:28 45 na-prot_998.pdb -5.07145374683 2026-07-22 09:15:28 46 na-prot_12952.pdb -5.06848492906 2026-07-22 09:15:28 47 na-prot_28.pdb -5.05783090513 2026-07-22 09:15:28 48 na-prot_4957.pdb -5.04745904299 2026-07-22 09:15:28 49 na-prot_9936.pdb -5.04057395756 2026-07-22 09:15:28 50 na-prot_2645.pdb -5.03031445564 2026-07-22 09:15:28 51 na-prot_7842.pdb -5.0285238843 2026-07-22 09:15:28 52 na-prot_4485.pdb -5.02744346987 2026-07-22 09:15:28 53 na-prot_3595.pdb -5.01797650891 2026-07-22 09:15:28 54 na-prot_11334.pdb -5.01302509701 2026-07-22 09:15:28 55 na-prot_11318.pdb -5.00949786367 2026-07-22 09:15:28 56 na-prot_18966.pdb -5.00402203952 2026-07-22 09:15:28 57 na-prot_5697.pdb -4.99484090992 2026-07-22 09:15:28 58 na-prot_3551.pdb -4.98658333692 2026-07-22 09:15:28 59 na-prot_185.pdb -4.98231821661 2026-07-22 09:15:28 60 na-prot_7903.pdb -4.95813188266 2026-07-22 09:15:28 61 na-prot_11690.pdb -4.95671358685 2026-07-22 09:15:28 62 na-prot_19416.pdb -4.94498781621 2026-07-22 09:15:28 63 na-prot_19648.pdb -4.93106676242 2026-07-22 09:15:28 64 na-prot_7582.pdb -4.92894091516 2026-07-22 09:15:28 65 na-prot_2130.pdb -4.92430492084 2026-07-22 09:15:28 66 na-prot_16373.pdb -4.92351035872 2026-07-22 09:15:28 67 na-prot_4843.pdb -4.91916156608 2026-07-22 09:15:28 68 na-prot_616.pdb -4.9095391343 2026-07-22 09:15:28 69 na-prot_6874.pdb -4.90395929285 2026-07-22 09:15:28 70 na-prot_3097.pdb -4.88641411931 2026-07-22 09:15:28 71 na-prot_170.pdb -4.8808344952 2026-07-22 09:15:28 72 na-prot_11402.pdb -4.87222921301 2026-07-22 09:15:28 73 na-prot_3852.pdb -4.86599165481 2026-07-22 09:15:28 74 na-prot_984.pdb -4.85540928026 2026-07-22 09:15:28 75 na-prot_7082.pdb -4.85118603959 2026-07-22 09:15:28 76 na-prot_1924.pdb -4.84513788769 2026-07-22 09:15:28 77 na-prot_6826.pdb -4.83896825356 2026-07-22 09:15:28 78 na-prot_4160.pdb -4.8371997165 2026-07-22 09:15:28 79 na-prot_510.pdb -4.83649609807 2026-07-22 09:15:28 80 na-prot_14987.pdb -4.83144897913 2026-07-22 09:15:28 81 na-prot_14.pdb -4.81461165707 2026-07-22 09:15:28 82 na-prot_3700.pdb -4.81006173103 2026-07-22 09:15:28 83 na-prot_5997.pdb -4.80848802778 2026-07-22 09:15:28 84 na-prot_8350.pdb -4.80003210412 2026-07-22 09:15:28 85 na-prot_941.pdb -4.79928236127 2026-07-22 09:15:28 86 na-prot_1483.pdb -4.7991938047 2026-07-22 09:15:28 87 na-prot_6307.pdb -4.79198751331 2026-07-22 09:15:28 88 na-prot_4747.pdb -4.78013891215 2026-07-22 09:15:28 89 na-prot_19874.pdb -4.77837566451 2026-07-22 09:15:28 90 na-prot_1472.pdb -4.75429582288 2026-07-22 09:15:28 91 na-prot_1195.pdb -4.75355454561 2026-07-22 09:15:28 92 na-prot_1395.pdb -4.75146544346 2026-07-22 09:15:28 93 na-prot_11194.pdb -4.74576797603 2026-07-22 09:15:28 94 na-prot_394.pdb -4.7378985646 2026-07-22 09:15:28 95 na-prot_9127.pdb -4.73361351909 2026-07-22 09:15:28 96 na-prot_2745.pdb -4.72965998934 2026-07-22 09:15:28 97 na-prot_532.pdb -4.72827334345 2026-07-22 09:15:28 98 na-prot_865.pdb -4.72230635827 2026-07-22 09:15:28 99 na-prot_296.pdb -4.71966270922 2026-07-22 09:15:28 100 na-prot_4168.pdb -4.71203670767 2026-07-22 09:15:28 Sent to refinement: clusters_found|na-prot_4729.pdb 2026-07-22 09:15:28 Sent to refinement: clusters_found|na-prot_4729.pdb 2026-07-22 09:15:28 DARS clustering end 2026-07-22 09:15:28 MC (refinement) init 2026-07-22 09:15:28 python /home/rpdock/run_gramm//run_mc.py -f dars_to_mc.txt -d /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/ 2026-07-22 09:15:28 Refinement of #1 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/na-prot_4729.pdb 2026-07-22 09:15:28 python /home/rpdock/mc/MC_DNA.py -s 1000 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba//ref_struc/na-prot_4729/na-prot_4729.pdb 2026-07-22 09:20:01 run_mc::stderr:Traceback (most recent call last): File "/home/rpdock/mc/MC_DNA.py", line 551, in change_atom_list, change_chains, change_chains1, trans_vec = translation(change_chains) File "/home/rpdock/mc/MC_DNA.py", line 262, in translation rna_chains1 = deepcopy(rna_chains) File "/usr/lib/python2.7/copy.py", line 163, in deepcopy y = copier(x, memo) File "/usr/lib/python2.7/copy.py", line 230, in _deepcopy_list y.append(deepcopy(a, memo)) File "/usr/lib/python2.7/copy.py", line 190, in deepcopy y = _reconstruct(x, rv, 1, memo) File "/usr/lib/python2.7/copy.py", line 334, in _reconstruct state = deepcopy(state, memo) File "/usr/lib/python2.7/copy.py", line 163, in deepcopy y = copier(x, memo) File "/usr/lib/python2.7/copy.py", line 257, in _deepcopy_dict y[deepcopy(key, memo)] = deepcopy(value, memo) File "/usr/lib/python2.7/copy.py", line 163, in deepcopy y = copier(x, memo) File "/usr/lib/python2.7/copy.py", line 257, in _deepcopy_dict y[deepcopy(key, memo)] = deepcopy(value, memo) File "/usr/lib/python2.7/copy.py", line 182, in deepcopy rv = reductor(2) MemoryError 2026-07-22 09:20:01 start - parameters: File name /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba//ref_struc/na-prot_4729/na-prot_4729.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False msg start - parameters: File name /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba//ref_struc/na-prot_4729/na-prot_4729.pdb Steps 1000 Temp. start 15000.0 Temp. end 295.0 False Step E Edist Eang Epen Warning, residue DC1 in the chain A has not P atom Missed atom CG in the LYS 122 Missed atom CD in the LYS 122 Missed atom CE in the LYS 122 Missed atom NZ in the LYS 122 0 - 119901.16 -931264.72 -228834.13 1280000.00 1 R -290837.76 -948127.86 -262709.90 920000.00 T= 15000.0 K progress 0.1 2 T -276196.37 -873107.83 -243088.54 840000.00 T= 14970.59 K progress 0.2 3 R -277013.56 -873925.03 -243088.54 840000.00 T= 14926.475 K progress 0.3 4 T -393540.54 -942568.42 -290972.11 840000.00 T= 14911.77 K progress 0.4 5 R -276149.04 -856134.39 -220014.65 800000.00 T= 14897.065 K progress 0.5 6 R -440916.50 -876991.89 -243924.62 680000.00 T= 14867.655 K progress 0.6 7 R -436199.36 -873654.77 -242544.59 680000.00 T= 14852.95 K progress 0.7 8 T -414813.95 -946704.37 -268109.58 800000.00 T= 14838.245 K progress 0.8 9 T -350743.15 -769163.99 -221579.17 640000.00 T= 14808.835 K progress 0.9 10 T -388560.88 -683033.51 -185527.37 480000.00 T= 14794.13 K progress 1.0 11 R -416546.06 -739636.98 -236909.09 560000.00 T= 14779.425 K progress 1.1 12 T -373948.74 -750188.96 -223759.78 600000.00 T= 14750.015 K progress 1.2 13 R -420483.69 -792688.76 -227794.93 600000.00 T= 14735.31 K progress 1.3 14 R -376124.36 -777622.68 -238501.69 640000.00 T= 14720.605 K progress 1.4 15 R -437018.81 -826113.00 -250905.81 640000.00 T= 14705.9 K progress 1.5 16 T -337257.02 -741414.93 -235842.09 640000.00 T= 14617.67 K progress 1.6 17 R -49095.82 -630826.95 -178268.87 760000.00 T= 14514.735 K progress 1.7 18 T -123162.14 -625345.50 -177816.64 680000.00 T= 14455.915 K progress 1.8 19 R -189530.52 -670594.54 -198935.97 680000.00 T= 14426.505 K progress 1.9 20 R -212914.13 -691195.41 -201718.73 680000.00 T= 14411.8 K progress 2.0 21 R -356929.86 -643132.67 -193797.19 480000.00 T= 14338.275 K progress 2.1 22 T -356484.29 -709164.77 -207319.52 560000.00 T= 14308.865 K progress 2.2 23 R -353615.89 -733908.80 -219707.09 600000.00 T= 14294.16 K progress 2.3 24 T -406455.56 -665788.59 -220666.97 480000.00 T= 14264.75 K progress 2.4 25 R -469818.21 -687460.49 -222357.72 440000.00 T= 14235.34 K progress 2.5 26 R -498510.03 -676127.41 -222382.62 400000.00 T= 14205.93 K progress 2.6 27 R -317099.98 -678249.24 -198850.74 560000.00 T= 14132.405 K progress 2.7 28 R -382414.29 -656565.78 -205848.51 480000.00 T= 14117.7 K progress 2.8 29 T -304550.52 -705502.67 -199047.85 600000.00 T= 14102.995 K progress 2.9 30 T -604447.35 -790072.43 -254374.92 440000.00 T= 14073.585 K progress 3.0 31 R -582728.42 -768896.60 -253831.82 440000.00 T= 13970.65 K progress 3.1 32 R -611210.99 -798169.32 -253041.67 440000.00 T= 13897.125 K progress 3.2 33 T -569557.28 -807327.36 -242229.92 480000.00 T= 13867.715 K progress 3.3 34 R -522803.48 -764635.41 -238168.07 480000.00 T= 13764.78 K progress 3.4 35 T -245549.76 -826574.22 -258975.54 840000.00 T= 13720.665 K progress 3.5 36 R -255067.39 -748242.29 -226825.10 720000.00 T= 13691.255 K progress 3.6 37 T -268246.91 -886467.54 -261779.37 880000.00 T= 13676.55 K progress 3.7 38 R -259098.85 -876184.50 -262914.35 880000.00 T= 13661.845 K progress 3.8 39 T -383055.13 -816190.93 -246864.20 680000.00 T= 13647.14 K progress 3.9 40 T -269570.31 -847453.31 -262117.00 840000.00 T= 13632.435 K progress 4.0 41 R -258016.10 -844017.42 -253998.67 840000.00 T= 13617.73 K progress 4.1 42 R -292533.44 -836718.37 -255815.07 800000.00 T= 13588.32 K progress 4.2 43 T -354154.50 -699147.47 -215007.03 560000.00 T= 13573.615 K progress 4.3 44 T -715801.59 -735824.81 -259976.78 280000.00 T= 13558.91 K progress 4.4 45 T -563404.90 -652236.81 -231168.09 320000.00 T= 13529.5 K progress 4.5 46 T -451626.37 -688960.84 -202665.54 440000.00 T= 13514.795 K progress 4.6 47 R -443180.92 -670447.94 -212732.99 440000.00 T= 13500.09 K progress 4.7 48 R -460447.18 -682690.34 -217756.85 440000.00 T= 13485.385 K progress 4.8 49 T -384375.16 -655945.13 -208430.04 480000.00 T= 13441.27 K progress 4.9 50 T -412870.72 -711157.43 -221713.29 520000.00 T= 13426.565 K progress 5.0 51 R -697627.27 -757204.74 -260422.54 320000.00 T= 13411.86 K progress 5.1 52 R -530342.91 -685532.97 -204809.94 360000.00 T= 13323.63 K progress 5.2 53 R -537124.25 -686856.34 -210267.91 360000.00 T= 13279.515 K progress 5.3 54 R -566065.91 -708326.55 -217739.36 360000.00 T= 13191.285 K progress 5.4 55 R -619004.09 -718271.63 -220732.46 320000.00 T= 13147.17 K progress 5.5 56 T -352271.92 -648112.99 -184158.93 480000.00 T= 12853.07 K progress 5.6 57 R -492970.13 -680166.33 -212803.80 400000.00 T= 12838.365 K progress 5.7 58 R -418565.14 -673541.18 -225023.96 480000.00 T= 12823.66 K progress 5.8 59 T -588377.77 -682813.49 -225564.27 320000.00 T= 12794.25 K progress 5.9 60 R -606970.01 -723607.20 -243362.82 360000.00 T= 12706.02 K progress 6.0 61 R -565665.13 -781107.61 -264557.52 480000.00 T= 12676.61 K progress 6.1 62 T -389713.30 -817113.44 -252599.85 680000.00 T= 12603.085 K progress 6.2 63 T -466368.77 -875186.48 -271182.29 680000.00 T= 12573.675 K progress 6.3 64 T -494532.83 -779027.45 -235505.38 520000.00 T= 12558.97 K progress 6.4 65 T -551149.19 -668526.79 -202622.40 320000.00 T= 12500.15 K progress 6.5 66 T -530556.49 -772150.35 -238406.14 480000.00 T= 12456.035 K progress 6.6 67 R -522673.80 -764267.66 -238406.14 480000.00 T= 12382.51 K progress 6.7 68 T -312413.29 -724184.25 -228229.04 640000.00 T= 12308.985 K progress 6.8 69 R -384304.37 -649894.74 -214409.63 480000.00 T= 12279.575 K progress 6.9 70 T -681533.88 -713581.40 -247952.48 280000.00 T= 12264.87 K progress 7.0 71 R -649598.43 -732662.86 -236935.57 320000.00 T= 12191.345 K progress 7.1 72 R -649452.68 -733670.23 -235782.45 320000.00 T= 12176.64 K progress 7.2 73 R -638749.67 -724435.93 -234313.74 320000.00 T= 12147.23 K progress 7.3 74 R -624420.05 -707398.94 -237021.11 320000.00 T= 11911.95 K progress 7.4 75 R -645622.62 -728330.34 -237292.28 320000.00 T= 11882.54 K progress 7.5 76 R -589886.47 -677930.35 -231956.12 320000.00 T= 11853.13 K progress 7.6 77 T -565941.71 -797911.19 -248030.51 480000.00 T= 11809.015 K progress 7.7 78 R -548552.12 -782021.63 -246530.49 480000.00 T= 11794.31 K progress 7.8 79 R -379359.87 -778960.17 -240399.70 640000.00 T= 11764.9 K progress 7.9 80 T -496845.21 -729604.69 -247240.52 480000.00 T= 11735.49 K progress 8.0 81 R -501589.23 -733221.64 -248367.59 480000.00 T= 11632.555 K progress 8.1 82 T -630652.20 -699605.34 -251046.86 320000.00 T= 11485.505 K progress 8.2 83 T -644677.49 -725813.89 -238863.59 320000.00 T= 11470.8 K progress 8.3 84 T -626043.25 -833131.35 -272911.89 480000.00 T= 11441.39 K progress 8.4 85 T -416707.67 -839200.69 -257506.98 680000.00 T= 11411.98 K progress 8.5 86 T -432646.49 -766923.01 -225723.48 560000.00 T= 11397.275 K progress 8.6 87 R -517248.99 -805631.27 -231617.72 520000.00 T= 11382.57 K progress 8.7 88 R -524225.55 -806919.79 -237305.75 520000.00 T= 11323.75 K progress 8.8 89 R -517248.99 -805631.27 -231617.72 520000.00 T= 11309.045 K progress 8.9 90 T -484277.74 -772325.81 -231951.92 520000.00 T= 11250.225 K progress 9.0 91 R -252563.10 -634137.86 -178425.24 560000.00 T= 11117.88 K progress 9.1 92 R -233563.10 -632839.63 -200723.46 600000.00 T= 10985.535 K progress 9.2 93 R -264580.17 -631742.47 -192837.70 560000.00 T= 10853.19 K progress 9.3 94 R -169286.02 -621625.56 -187660.46 640000.00 T= 10823.78 K progress 9.4 95 T -301163.19 -626587.20 -194575.99 520000.00 T= 10588.5 K progress 9.5 96 T -355906.42 -745978.64 -249927.78 640000.00 T= 10573.795 K progress 9.6 97 R -367468.04 -675671.22 -211796.81 520000.00 T= 10559.09 K progress 9.7 98 T -409877.27 -718263.66 -251613.61 560000.00 T= 10544.385 K progress 9.8 99 R -392347.73 -720508.01 -191839.73 520000.00 T= 10529.68 K progress 9.9 100 R -578493.63 -754717.04 -223776.59 400000.00 T= 10485.565 K progress 10.0 101 T -658792.44 -738303.57 -240488.87 320000.00 T= 10367.925 K progress 10.1 102 T -633960.15 -725356.04 -228604.11 320000.00 T= 10323.81 K progress 10.2 103 R -634513.75 -726374.25 -228139.50 320000.00 T= 10264.99 K progress 10.3 104 T -574012.02 -678474.42 -215537.60 320000.00 T= 10235.58 K progress 10.4 105 R -476009.00 -716629.55 -239379.45 480000.00 T= 10191.465 K progress 10.5 106 T -547384.98 -703716.83 -203668.15 360000.00 T= 10176.76 K progress 10.6 107 R -592057.80 -725312.17 -226745.63 360000.00 T= 10162.055 K progress 10.7 108 R -595801.61 -728957.81 -226843.80 360000.00 T= 10117.94 K progress 10.8 109 R -558055.61 -712606.40 -205449.22 360000.00 T= 10073.825 K progress 10.9 110 T -624917.32 -872546.81 -272370.51 520000.00 T= 9956.185 K progress 11.0 111 R -554259.79 -821442.97 -252816.82 520000.00 T= 9529.74 K progress 11.1 112 T -450257.61 -869082.69 -261174.92 680000.00 T= 9515.035 K progress 11.2 113 R -450484.00 -865598.75 -264885.25 680000.00 T= 9456.215 K progress 11.3 114 T -425523.35 -851807.99 -253715.35 680000.00 T= 9441.51 K progress 11.4 115 T -530079.12 -864489.96 -265589.16 600000.00 T= 9250.345 K progress 11.5 116 R -594645.99 -884758.04 -269887.95 560000.00 T= 9103.295 K progress 11.6 117 R -282341.95 -895804.42 -266537.53 880000.00 T= 9073.885 K progress 11.7 118 T -368358.33 -899357.96 -269000.37 800000.00 T= 9059.18 K progress 11.8 119 T -414897.90 -835276.29 -259621.61 680000.00 T= 9044.475 K progress 11.9 120 T -484930.27 -764044.37 -240885.90 520000.00 T= 9015.065 K progress 12.0 121 R -477231.47 -755640.96 -241590.51 520000.00 T= 9000.36 K progress 12.1 122 R -596066.67 -724157.85 -231908.82 360000.00 T= 8985.655 K progress 12.2 123 R -576118.61 -805175.92 -250942.69 480000.00 T= 8941.54 K progress 12.3 124 R -589880.07 -812919.11 -256960.96 480000.00 T= 8926.835 K progress 12.4 125 R -575291.64 -797081.81 -258209.83 480000.00 T= 8868.015 K progress 12.5 126 R -677993.48 -754279.20 -243714.28 320000.00 T= 8838.605 K progress 12.6 127 R -573999.08 -795901.47 -258097.62 480000.00 T= 8779.785 K progress 12.7 128 R -674673.09 -754147.24 -240525.85 320000.00 T= 8750.375 K progress 12.8 129 T -637619.04 -698228.36 -219390.68 280000.00 T= 8603.325 K progress 12.9 130 T -614821.75 -670975.59 -223846.16 280000.00 T= 8573.915 K progress 13.0 131 T -531427.54 -624758.57 -226668.97 320000.00 T= 8441.57 K progress 13.1 132 R -540196.78 -636608.86 -223587.92 320000.00 T= 8397.455 K progress 13.2 133 T -554521.11 -619191.92 -215329.20 280000.00 T= 8382.75 K progress 13.3 134 T -555853.10 -669281.31 -206571.79 320000.00 T= 8368.045 K progress 13.4 135 R -519258.72 -656800.50 -182458.23 320000.00 T= 8323.93 K progress 13.5 136 T -459436.50 -744193.18 -195243.31 480000.00 T= 8265.11 K progress 13.6 137 R -610907.41 -736793.24 -194114.16 320000.00 T= 8206.29 K progress 13.7 138 T -327163.68 -777348.82 -229814.86 680000.00 T= 8191.585 K progress 13.8 139 T -591682.10 -693444.03 -218238.07 320000.00 T= 8132.765 K progress 13.9 140 R -589549.63 -685367.60 -224182.02 320000.00 T= 8118.06 K progress 14.0 141 T -741296.27 -797803.04 -263493.22 320000.00 T= 8015.125 K progress 14.1 142 T -548934.62 -771223.96 -257710.66 480000.00 T= 7926.895 K progress 14.2 143 T -594096.59 -811603.08 -262493.51 480000.00 T= 7897.485 K progress 14.3 144 R -588793.84 -808446.53 -260347.31 480000.00 T= 7853.37 K progress 14.4 145 T -599575.47 -812510.30 -267065.16 480000.00 T= 7765.14 K progress 14.5 146 T -384089.30 -854899.09 -249190.21 720000.00 T= 7706.32 K progress 14.6 147 T -489294.91 -746892.50 -222402.41 480000.00 T= 7691.615 K progress 14.7 148 T -577002.32 -671962.42 -225039.89 320000.00 T= 7676.91 K progress 14.8 149 T -456745.46 -642975.85 -173769.61 360000.00 T= 7662.205 K progress 14.9 150 T -579640.32 -689474.04 -210166.28 320000.00 T= 7632.795 K progress 15.0 151 R -657883.65 -731521.26 -246362.39 320000.00 T= 7603.385 K progress 15.1 152 R -618336.98 -699778.34 -238558.65 320000.00 T= 7456.335 K progress 15.2 153 R -528467.47 -763450.42 -245017.05 480000.00 T= 7412.22 K progress 15.3 154 T -528553.25 -647655.27 -200897.98 320000.00 T= 7353.4 K progress 15.4 155 T -465645.24 -607106.35 -178538.88 320000.00 T= 7279.875 K progress 15.5 156 R -426422.39 -588831.82 -157590.57 320000.00 T= 7221.055 K progress 15.6 157 T -394732.78 -704355.28 -210377.50 520000.00 T= 7147.53 K progress 15.7 158 T -437252.13 -808076.41 -229175.71 600000.00 T= 7132.825 K progress 15.8 159 R -424023.13 -741549.29 -202473.84 520000.00 T= 7074.005 K progress 15.9 160 R -418485.75 -734601.45 -203884.30 520000.00 T= 7015.185 K progress 16.0 161 T -390076.96 -692959.78 -217117.18 520000.00 T= 6985.775 K progress 16.1 162 R -329267.03 -731999.42 -237267.61 640000.00 T= 6971.07 K progress 16.2 163 T -383895.22 -767136.43 -216758.79 600000.00 T= 6941.66 K progress 16.3 164 R -384082.11 -765918.16 -218163.95 600000.00 T= 6926.955 K progress 16.4 165 T -395898.41 -811509.05 -224389.36 640000.00 T= 6897.545 K progress 16.5 166 R -454310.87 -829167.33 -225143.54 600000.00 T= 6882.84 K progress 16.6 167 T -458913.02 -789696.30 -229216.72 560000.00 T= 6735.79 K progress 16.7 168 T -443579.18 -739855.69 -223723.49 520000.00 T= 6721.085 K progress 16.8 169 T -557536.33 -806823.03 -270713.29 520000.00 T= 6706.38 K progress 16.9 170 R -558282.20 -808961.94 -269320.26 520000.00 T= 6632.855 K progress 17.0 171 R -501183.96 -794162.19 -267021.77 560000.00 T= 6618.15 K progress 17.1 172 R -509556.86 -796614.54 -272942.32 560000.00 T= 6603.445 K progress 17.2 173 R -464699.35 -812182.45 -252516.90 600000.00 T= 6588.74 K progress 17.3 174 T -491173.76 -781847.05 -229326.71 520000.00 T= 6574.035 K progress 17.4 175 R -551270.65 -698782.46 -212488.19 360000.00 T= 6559.33 K progress 17.5 176 R -541143.81 -777909.53 -243234.28 480000.00 T= 6529.92 K progress 17.6 177 R -460172.04 -753161.97 -227010.06 520000.00 T= 6485.805 K progress 17.7 178 T -476749.09 -657302.71 -179446.38 360000.00 T= 6456.395 K progress 17.8 179 T -521524.09 -624490.88 -177033.22 280000.00 T= 6441.69 K progress 17.9 180 T -452473.73 -571597.30 -160876.44 280000.00 T= 6426.985 K progress 18.0 181 T -532814.15 -632298.67 -180515.48 280000.00 T= 6368.165 K progress 18.1 182 T -452480.78 -566542.56 -165938.21 280000.00 T= 6353.46 K progress 18.2 183 T -452794.29 -557393.34 -175400.95 280000.00 T= 6338.755 K progress 18.3 184 R -447967.52 -551080.92 -176886.60 280000.00 T= 6324.05 K progress 18.4 185 R -436793.53 -551332.75 -165460.78 280000.00 T= 6309.345 K progress 18.5 186 R -450925.84 -563266.01 -167659.83 280000.00 T= 6279.935 K progress 18.6 187 T -480572.94 -588917.14 -171655.80 280000.00 T= 6265.23 K progress 18.7 188 R -476276.22 -583084.14 -173192.07 280000.00 T= 6235.82 K progress 18.8 189 T -432317.06 -578948.34 -173368.72 320000.00 T= 6221.115 K progress 18.9 190 R -440651.17 -586163.33 -174487.84 320000.00 T= 6177.0 K progress 19.0 191 R -471984.73 -582314.87 -169669.86 280000.00 T= 6147.59 K progress 19.1 192 R -472730.52 -579298.37 -173432.15 280000.00 T= 6118.18 K progress 19.2 193 T -370466.88 -505895.27 -144571.61 280000.00 T= 6074.065 K progress 19.3 194 R -372186.24 -507100.30 -145085.94 280000.00 T= 6059.36 K progress 19.4 195 R -372439.39 -508561.58 -143877.80 280000.00 T= 6044.655 K progress 19.5 196 T -491840.23 -595273.64 -176566.59 280000.00 T= 6029.95 K progress 19.6 197 R -491840.23 -595273.64 -176566.59 280000.00 T= 6000.54 K progress 19.7 198 T -511799.74 -643773.73 -188026.01 320000.00 T= 5985.835 K progress 19.8 199 R -519482.05 -653766.17 -185715.89 320000.00 T= 5971.13 K progress 19.9 200 R -383292.36 -711463.54 -191828.82 520000.00 T= 5956.425 K progress 20.0 Long traj 201 R -418915.02 -687498.77 -211416.25 480000.00 T= 5941.72 K progress 20.1 202 R -454106.27 -618643.43 -195462.84 360000.00 T= 5927.015 K progress 20.2 203 R -476056.50 -643560.65 -192495.85 360000.00 T= 5897.605 K progress 20.3 204 T -486491.02 -625153.73 -181337.29 320000.00 T= 5882.9 K progress 20.4 205 T -406867.74 -582180.23 -184687.51 360000.00 T= 5868.195 K progress 20.5 206 T -440454.93 -610420.33 -190034.61 360000.00 T= 5853.49 K progress 20.6 207 R -485714.61 -667806.49 -177908.12 360000.00 T= 5647.62 K progress 20.7 208 T -486247.32 -620833.74 -185413.57 320000.00 T= 5603.505 K progress 20.8 209 T -501758.98 -705517.15 -236241.83 440000.00 T= 5559.39 K progress 20.9 210 T -539846.38 -618948.03 -200898.35 280000.00 T= 5544.685 K progress 21.0 211 T -542124.65 -620116.16 -202008.49 280000.00 T= 5500.57 K progress 21.1 212 R -535783.66 -618961.96 -196821.69 280000.00 T= 5471.16 K progress 21.2 213 R -555820.17 -609821.64 -185998.53 240000.00 T= 5368.225 K progress 21.3 214 R -520971.44 -577901.89 -183069.55 240000.00 T= 5353.52 K progress 21.4 215 T -481225.21 -620063.08 -181162.13 320000.00 T= 5294.7 K progress 21.5 216 T -542562.54 -623075.39 -199487.16 280000.00 T= 5279.995 K progress 21.6 217 T -565452.67 -633494.09 -211958.58 280000.00 T= 5265.29 K progress 21.7 218 T -526040.36 -611998.18 -194042.18 280000.00 T= 5177.06 K progress 21.8 219 T -526808.62 -603392.49 -203416.13 280000.00 T= 5147.65 K progress 21.9 220 T -598921.52 -645788.60 -193132.92 240000.00 T= 5118.24 K progress 22.0 221 R -597496.10 -645755.68 -191740.41 240000.00 T= 5074.125 K progress 22.1 222 T -516429.49 -641713.75 -194715.75 320000.00 T= 4868.255 K progress 22.2 223 R -502094.79 -657347.84 -204746.95 360000.00 T= 4853.55 K progress 22.3 224 R -530019.85 -678638.71 -211381.14 360000.00 T= 4824.14 K progress 22.4 225 R -564633.01 -682365.77 -202267.24 320000.00 T= 4809.435 K progress 22.5 226 R -556433.11 -675480.62 -200952.49 320000.00 T= 4721.205 K progress 22.6 227 T -606789.89 -771742.68 -195047.22 360000.00 T= 4677.09 K progress 22.7 228 T -527641.50 -638870.86 -168770.63 280000.00 T= 4662.385 K progress 22.8 229 R -520011.39 -631310.22 -168701.16 280000.00 T= 4603.565 K progress 22.9 230 R -447174.78 -599275.94 -167898.84 320000.00 T= 4544.745 K progress 23.0 231 R -481889.14 -627964.84 -173924.30 320000.00 T= 4530.04 K progress 23.1 232 R -456080.77 -606619.80 -169460.97 320000.00 T= 4500.63 K progress 23.2 233 T -499334.71 -646432.83 -172901.88 320000.00 T= 4353.58 K progress 23.3 234 R -496708.39 -645048.53 -171659.86 320000.00 T= 4324.17 K progress 23.4 235 R -442617.75 -632570.04 -170047.71 360000.00 T= 4309.465 K progress 23.5 236 T -411472.23 -661659.16 -189813.06 440000.00 T= 4250.645 K progress 23.6 237 T -416026.36 -694577.58 -201448.78 480000.00 T= 4206.53 K progress 23.7 238 T -487617.83 -758519.90 -209097.93 480000.00 T= 4191.825 K progress 23.8 239 R -491202.26 -760074.56 -211127.70 480000.00 T= 4074.185 K progress 23.9 240 T -524620.86 -768082.88 -196537.98 440000.00 T= 4015.365 K progress 24.0 241 T -516503.10 -789258.70 -247244.41 520000.00 T= 3971.25 K progress 24.1 242 R -519698.42 -795848.78 -243849.63 520000.00 T= 3706.56 K progress 24.2 243 T -523645.87 -735877.57 -187768.30 400000.00 T= 3574.215 K progress 24.3 244 T -504666.66 -751095.51 -193571.15 440000.00 T= 3324.23 K progress 24.4 245 R -457043.35 -754202.91 -182840.45 480000.00 T= 3294.82 K progress 24.5 246 R -475703.89 -797057.32 -198646.57 520000.00 T= 3236.0 K progress 24.6 247 T -481520.25 -822505.67 -219014.58 560000.00 T= 3177.18 K progress 24.7 248 R -484029.14 -818966.56 -225062.58 560000.00 T= 3162.475 K progress 24.8 249 R -478807.61 -823451.65 -215355.95 560000.00 T= 3118.36 K progress 24.9 250 R -481247.06 -824536.11 -216710.95 560000.00 T= 3103.655 K progress 25.0 251 T -474203.41 -783643.71 -210559.69 520000.00 T= 3000.72 K progress 25.1 252 R -474203.41 -783643.71 -210559.69 520000.00 T= 2897.785 K progress 25.2 253 R -579229.38 -772168.79 -207060.59 400000.00 T= 2883.08 K progress 25.3 254 R -621484.36 -770784.33 -210700.03 360000.00 T= 2456.635 K progress 25.4 255 R -626749.29 -777362.82 -209386.46 360000.00 T= 544.985 K progress 25.5 msg save long traj Save long msg save best.pdb Traceback (most recent call last): File "/home/rpdock/mc/MC_DNA.py", line 760, in ax = gca() File "/usr/local/lib/python2.7/dist-packages/matplotlib/pyplot.py", line 959, in gca return gcf().gca(**kwargs) File "/usr/local/lib/python2.7/dist-packages/matplotlib/figure.py", line 1611, in gca return self.add_subplot(1, 1, 1, **kwargs) File "/usr/local/lib/python2.7/dist-packages/matplotlib/figure.py", line 1070, in add_subplot a = subplot_class_factory(projection_class)(self, *args, **kwargs) File "/usr/local/lib/python2.7/dist-packages/matplotlib/axes/_subplots.py", line 73, in __init__ self._axes_class.__init__(self, fig, self.figbox, **kwargs) File "/usr/local/lib/python2.7/dist-packages/matplotlib/axes/_base.py", line 519, in __init__ self._init_axis() File "/usr/local/lib/python2.7/dist-packages/matplotlib/axes/_base.py", line 612, in _init_axis self.spines['top'].register_axis(self.xaxis) File "/usr/local/lib/python2.7/dist-packages/matplotlib/spines.py", line 176, in register_axis self.axis.cla() File "/usr/local/lib/python2.7/dist-packages/matplotlib/axis.py", line 773, in cla self.reset_ticks() File "/usr/local/lib/python2.7/dist-packages/matplotlib/axis.py", line 788, in reset_ticks self.minorTicks.extend([self._get_tick(major=False)]) File "/usr/local/lib/python2.7/dist-packages/matplotlib/axis.py", line 1748, in _get_tick return XTick(self.axes, 0, '', major=major, **tick_kw) File "/usr/local/lib/python2.7/dist-packages/matplotlib/axis.py", line 160, in __init__ self.label2 = self._get_text2() File "/usr/local/lib/python2.7/dist-packages/matplotlib/axis.py", line 432, in _get_text2 horizontalalignment=horiz, File "/usr/local/lib/python2.7/dist-packages/matplotlib/text.py", line 210, in __init__ Artist.__init__(self) File "/usr/local/lib/python2.7/dist-packages/matplotlib/artist.py", line 115, in __init__ self._remove_method = None MemoryError Error in run_mc Traceback (most recent call last): File "/home/rpdock/mc/MC_DNA.py", line 551, in change_atom_list, change_chains, change_chains1, trans_vec = translation(change_chains) File "/home/rpdock/mc/MC_DNA.py", line 262, in translation rna_chains1 = deepcopy(rna_chains) File "/usr/lib/python2.7/copy.py", line 163, in deepcopy y = copier(x, memo) File "/usr/lib/python2.7/copy.py", line 230, in _deepcopy_list y.append(deepcopy(a, memo)) File "/usr/lib/python2.7/copy.py", line 190, in deepcopy y = _reconstruct(x, rv, 1, memo) File "/usr/lib/python2.7/copy.py", line 334, in _reconstruct state = deepcopy(state, memo) File "/usr/lib/python2.7/copy.py", line 163, in deepcopy y = copier(x, memo) File "/usr/lib/python2.7/copy.py", line 257, in _deepcopy_dict y[deepcopy(key, memo)] = deepcopy(value, memo) File "/usr/lib/python2.7/copy.py", line 163, in deepcopy y = copier(x, memo) File "/usr/lib/python2.7/copy.py", line 257, in _deepcopy_dict y[deepcopy(key, memo)] = deepcopy(value, memo) File "/usr/lib/python2.7/copy.py", line 182, in deepcopy rv = reductor(2) MemoryError Wed Jul 22 09:15:28 2026 ['na-prot_4729.pdb'] msg Refinement of #1 /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/na-prot_4729.pdb dir: /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/ file: na-prot_4729.pdb find `pwd` -iname na-prot_4729.pdb copy /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba/prot-na_10/na-prot_4729.pdb to /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba//ref_struc/na-prot_4729/na-prot_4729.pdb cmd: python /home/rpdock/mc/MC_DNA.py -s 1000 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba//ref_struc/na-prot_4729/na-prot_4729.pdb msg python /home/rpdock/mc/MC_DNA.py -s 1000 -a 15000 -t 295 -f /home/rpdock/web/media/jobs/17341eda-75ae-43de-892b-ca1c12be75ba//ref_struc/na-prot_4729/na-prot_4729.pdb msg run_mc::stderr:Traceback (most recent call last): File "/home/rpdock/mc/MC_DNA.py", line 551, in change_atom_list, change_chains, change_chains1, trans_vec = translation(change_chains) File "/home/rpdock/mc/MC_DNA.py", line 262, in translation rna_chains1 = deepcopy(rna_chains) File "/usr/lib/python2.7/copy.py", line 163, in deepcopy y = copier(x, memo) File "/usr/lib/python2.7/copy.py", line 230, in _deepcopy_list y.append(deepcopy(a, memo)) File "/usr/lib/python2.7/copy.py", line 190, in deepcopy y = _reconstruct(x, rv, 1, memo) File "/usr/lib/python2.7/copy.py", line 334, in _reconstruct state = deepcopy(state, memo) File "/usr/lib/python2.7/copy.py", line 163, in deepcopy y = copier(x, memo) File "/usr/lib/python2.7/copy.py", line 257, in _deepcopy_dict y[deepcopy(key, memo)] = deepcopy(value, memo) File "/usr/lib/python2.7/copy.py", line 163, in deepcopy y = copier(x, memo) File "/usr/lib/python2.7/copy.py", line 257, in _deepcopy_dict y[deepcopy(key, memo)] = deepcopy(value, memo) File "/usr/lib/python2.7/copy.py", line 182, in deepcopy rv = reductor(2) MemoryError 2026-07-22 09:20:01 npdock::MC (refinement) end 2026-07-22 09:20:01 npdock::OK 2026-07-22 09:20:01 Set finished status of 17341eda-75ae-43de-892b-ca1c12be75ba