2026-07-27 05:30:02 NPdock start 2026-07-27 05:30:02 ver: server 2026-07-27 05:30:02 mode: 11111 2026-07-27 05:30:02 is RNA? 0 2026-07-27 05:30:02 Interface: prot: '' na: '' 2026-07-27 05:30:02 Curr dir:/home/rpdock/web/media/jobs/e0f14ade-f550-48bc-bcbb-a97c4e22d472/ 2026-07-27 05:30:02 GRAMM in progress... 2026-07-27 05:30:02 python /home/rpdock/run_gramm//run_gramm1.py -d 20000 -p prot.pdb -r na.pdb -pi '' -ri '' -n 1 -pf '*' -rf '*' 2026-07-27 06:40:56 GRAMM done 2026-07-27 06:40:56 DNP scoring in progress... 2026-07-27 06:40:56 time python /home/rpdock/run_gramm//DNP/laczony/QUASI-DNP-QDV_potential_1.0.py -m 100 -f list.txt -o dnp_out.txt 2026-07-27 06:40:57 QDV-DNP starts 2026-07-27 06:40:57 Show log every 100 structures 2026-07-27 06:40:57 QUASI-DNP starts 2026-07-27 06:40:57 prot-na_1000.pdb -1136415.57009 2026-07-27 06:41:41 prot-na_94.pdb -1275894.98425 2026-07-27 06:42:28 prot-na_194.pdb -1039188.80033 2026-07-27 06:43:15 prot-na_294.pdb -980075.86267 2026-07-27 06:44:02 prot-na_394.pdb -913227.917039 2026-07-27 06:44:48 prot-na_494.pdb -924091.499505 2026-07-27 06:45:35 prot-na_594.pdb -765329.216752 2026-07-27 06:46:22 prot-na_694.pdb -845996.183559 2026-07-27 06:47:11 prot-na_794.pdb -1002646.37892 2026-07-27 06:47:59 prot-na_894.pdb -904097.791326 2026-07-27 06:48:48 prot-na_994.pdb -819164.651361 2026-07-27 06:49:36 prot-na_1100.pdb -794658.023422 2026-07-27 06:50:24 prot-na_1200.pdb -782490.531955 2026-07-27 06:51:13 prot-na_1300.pdb -768369.54278 2026-07-27 06:52:01 prot-na_1400.pdb -832092.780467 2026-07-27 06:52:50 prot-na_1500.pdb -924314.733529 2026-07-27 06:53:39 prot-na_1600.pdb -771029.116553 2026-07-27 06:54:28 prot-na_1700.pdb -970851.995529 2026-07-27 06:55:17 prot-na_1800.pdb -824913.657904 2026-07-27 06:56:05 prot-na_1900.pdb -816600.591676 2026-07-27 06:56:53 prot-na_2000.pdb -1089253.18752 2026-07-27 06:57:41 prot-na_2100.pdb -850081.773052 2026-07-27 06:58:29 prot-na_2200.pdb -454080.584137 2026-07-27 06:59:17 prot-na_2300.pdb -1004479.05198 2026-07-27 07:00:05 prot-na_2400.pdb -530396.391394 2026-07-27 07:00:52 prot-na_2500.pdb -921513.606274 2026-07-27 07:01:40 prot-na_2600.pdb -814959.531302 2026-07-27 07:02:28 prot-na_2700.pdb -716338.50582 2026-07-27 07:03:16 prot-na_2800.pdb -625065.446938 2026-07-27 07:04:04 prot-na_2900.pdb -794777.588094 2026-07-27 07:04:51 prot-na_3000.pdb -723293.994779 2026-07-27 07:05:39 prot-na_3100.pdb -515950.575244 2026-07-27 07:06:27 prot-na_3200.pdb -721963.315164 2026-07-27 07:07:14 prot-na_3300.pdb -761145.350154 2026-07-27 07:08:02 prot-na_3400.pdb -1161348.7377 2026-07-27 07:08:49 prot-na_3500.pdb -492937.558759 2026-07-27 07:09:36 prot-na_3600.pdb -646811.702534 2026-07-27 07:10:23 prot-na_3700.pdb -822311.923224 2026-07-27 07:11:11 prot-na_3800.pdb -663608.252167 2026-07-27 07:11:58 prot-na_3900.pdb -714273.633371 2026-07-27 07:12:45 prot-na_4000.pdb -736316.505019 2026-07-27 07:13:32 prot-na_4100.pdb -688990.27732 2026-07-27 07:14:19 prot-na_4200.pdb -866715.436983 2026-07-27 07:15:07 prot-na_4300.pdb -585807.52591 2026-07-27 07:15:54 prot-na_4400.pdb -669383.583139 2026-07-27 07:16:41 prot-na_4500.pdb -832474.792089 2026-07-27 07:17:28 prot-na_4600.pdb -586548.768643 2026-07-27 07:18:16 prot-na_4700.pdb -389700.984098 2026-07-27 07:19:03 prot-na_4800.pdb -702775.719893 2026-07-27 07:19:51 prot-na_4900.pdb -702613.150713 2026-07-27 07:20:37 prot-na_5000.pdb -891614.932971 2026-07-27 07:21:25 prot-na_5100.pdb -742144.296983 2026-07-27 07:22:12 prot-na_5200.pdb -876336.208306 2026-07-27 07:23:00 prot-na_5300.pdb -702885.458303 2026-07-27 07:23:47 prot-na_5400.pdb -965747.445917 2026-07-27 07:24:35 prot-na_5500.pdb -887232.373508 2026-07-27 07:25:22 prot-na_5600.pdb -911739.66989 2026-07-27 07:26:09 prot-na_5700.pdb -567993.130721 2026-07-27 07:26:56 prot-na_5800.pdb -1276422.85406 2026-07-27 07:27:43 prot-na_5900.pdb -699951.242469 2026-07-27 07:28:30 prot-na_6000.pdb -770211.323483 2026-07-27 07:29:17 prot-na_6100.pdb -865610.866052 2026-07-27 07:30:04 prot-na_6200.pdb -561515.011282 2026-07-27 07:30:51 prot-na_6300.pdb -612554.20346 2026-07-27 07:31:38 prot-na_6400.pdb -625413.984918 2026-07-27 07:32:25 prot-na_6500.pdb -592823.300405 2026-07-27 07:33:12 prot-na_6600.pdb -685518.4646 2026-07-27 07:33:58 prot-na_6700.pdb -679820.819165 2026-07-27 07:34:46 prot-na_6800.pdb -470308.002824 2026-07-27 07:35:33 prot-na_6900.pdb -649753.252195 2026-07-27 07:36:21 prot-na_7000.pdb -679091.944216 2026-07-27 07:37:08 prot-na_7100.pdb -772282.723713 2026-07-27 07:37:55 prot-na_7200.pdb -650358.498078 2026-07-27 07:38:43 prot-na_7300.pdb -773913.980248 2026-07-27 07:39:30 prot-na_7400.pdb -837437.116048 2026-07-27 07:40:17 prot-na_7500.pdb -463463.46559 2026-07-27 07:41:05 prot-na_7600.pdb -844819.130529 2026-07-27 07:41:53 prot-na_7700.pdb -1117424.70806 2026-07-27 07:42:45 prot-na_7800.pdb -784793.761461 2026-07-27 07:43:34 prot-na_7900.pdb -716360.168951 2026-07-27 07:44:21 prot-na_8000.pdb -700412.829413 2026-07-27 07:45:08 prot-na_8100.pdb -746405.769243 2026-07-27 07:45:55 prot-na_8200.pdb -705786.828892 2026-07-27 07:46:43 prot-na_8300.pdb -953555.976258 2026-07-27 07:47:29 prot-na_8400.pdb -711692.748729 2026-07-27 07:48:17 prot-na_8500.pdb -830697.107215 2026-07-27 07:49:03 prot-na_8600.pdb -647454.012133 2026-07-27 07:49:50 prot-na_8700.pdb -909101.310789 2026-07-27 07:50:37 prot-na_8800.pdb -962577.039114 2026-07-27 07:51:24 prot-na_8900.pdb -526184.26613 2026-07-27 07:52:12 prot-na_9000.pdb -644446.736748 2026-07-27 07:52:59 prot-na_9100.pdb -733420.599162 2026-07-27 07:53:46 prot-na_9200.pdb -484857.846814 2026-07-27 07:54:33 prot-na_9300.pdb -812085.723989 2026-07-27 07:55:20 prot-na_9400.pdb -702585.317565 2026-07-27 07:56:06 prot-na_9500.pdb -705141.986648 2026-07-27 07:56:53 prot-na_9600.pdb -549601.116792 2026-07-27 07:57:40 prot-na_9700.pdb -698560.367069 2026-07-27 07:58:27 prot-na_9800.pdb -570162.955269 2026-07-27 07:59:14 prot-na_9900.pdb -673998.068315 2026-07-27 08:00:02 prot-na_10000.pdb -754404.990873 2026-07-27 08:00:48 prot-na_10100.pdb -527762.728604 2026-07-27 08:01:35 prot-na_10200.pdb -542222.02484 2026-07-27 08:02:22 prot-na_10300.pdb -612125.238809 2026-07-27 08:03:08 prot-na_10400.pdb -754389.425531 2026-07-27 08:03:55 prot-na_10500.pdb -640266.585093 2026-07-27 08:04:42 prot-na_10600.pdb -617245.788238 2026-07-27 08:05:29 prot-na_10700.pdb -578839.428936 2026-07-27 08:06:16 prot-na_10800.pdb -814332.353966 2026-07-27 08:07:04 prot-na_10900.pdb -659320.642398 2026-07-27 08:07:50 prot-na_11000.pdb -691490.58507 2026-07-27 08:08:38 prot-na_11100.pdb -1022913.63733 2026-07-27 08:09:24 prot-na_11200.pdb -718892.235826 2026-07-27 08:10:11 prot-na_11300.pdb -835085.092511 2026-07-27 08:10:58 prot-na_11400.pdb -620080.80268 2026-07-27 08:11:46 prot-na_11500.pdb -607503.488514 2026-07-27 08:12:36 prot-na_11600.pdb -607538.481109 2026-07-27 08:13:24 prot-na_11700.pdb -748819.234365 2026-07-27 08:14:11 prot-na_11800.pdb -913322.791248 2026-07-27 08:14:58 prot-na_11900.pdb -777532.18678 2026-07-27 08:15:45 prot-na_12000.pdb -582986.996033 2026-07-27 08:16:31 prot-na_12100.pdb -676958.934786 2026-07-27 08:17:18 prot-na_12200.pdb -729233.301181 2026-07-27 08:18:05 prot-na_12300.pdb -676249.20885 2026-07-27 08:18:52 prot-na_12400.pdb -591018.45198 2026-07-27 08:19:39 prot-na_12500.pdb -901202.275268 2026-07-27 08:20:26 prot-na_12600.pdb -937756.593934 2026-07-27 08:21:12 prot-na_12700.pdb -574624.940885 2026-07-27 08:22:00 prot-na_12800.pdb -737736.94516 2026-07-27 08:22:47 prot-na_12900.pdb -674557.48559 2026-07-27 08:23:34 prot-na_13000.pdb -529771.310493 2026-07-27 08:24:21 prot-na_13100.pdb -596253.260326 2026-07-27 08:25:08 prot-na_13200.pdb -546090.711379 2026-07-27 08:25:55 prot-na_13300.pdb -580288.610752 2026-07-27 08:26:43 prot-na_13400.pdb -786195.34134 2026-07-27 08:27:30 prot-na_13500.pdb -532526.627389 2026-07-27 08:28:17 prot-na_13600.pdb -964278.494747 2026-07-27 08:29:04 prot-na_13700.pdb -454166.481632 2026-07-27 08:29:51 prot-na_13800.pdb -764555.973718 2026-07-27 08:30:38 prot-na_13900.pdb -767534.218816 2026-07-27 08:31:25 prot-na_14000.pdb -1157738.62967 2026-07-27 08:32:13 prot-na_14100.pdb -1052552.30907 2026-07-27 08:33:00 prot-na_14200.pdb -796483.952189 2026-07-27 08:33:48 prot-na_14300.pdb -747286.606276 2026-07-27 08:34:35 prot-na_14400.pdb -703090.295212 2026-07-27 08:35:22 prot-na_14500.pdb -658873.778798 2026-07-27 08:36:08 prot-na_14600.pdb -702333.95411 2026-07-27 08:36:56 prot-na_14700.pdb -759066.883698 2026-07-27 08:37:43 prot-na_14800.pdb -875730.182241 2026-07-27 08:38:30 prot-na_14900.pdb -725176.577742 2026-07-27 08:39:16 prot-na_15000.pdb -472995.90008 2026-07-27 08:40:03 prot-na_15100.pdb -643719.302978 2026-07-27 08:40:51 prot-na_15200.pdb -496177.204534 2026-07-27 08:41:39 prot-na_15300.pdb -569577.331594 2026-07-27 08:42:26 prot-na_15400.pdb -736050.97761 2026-07-27 08:43:13 prot-na_15500.pdb -571966.450305 2026-07-27 08:44:01 prot-na_15600.pdb -322832.761784 2026-07-27 08:44:49 prot-na_15700.pdb -972809.096767 2026-07-27 08:45:39 prot-na_15800.pdb -774603.958707 2026-07-27 08:46:26 prot-na_15900.pdb -438744.350611 2026-07-27 08:47:13 prot-na_16000.pdb -643630.394858 2026-07-27 08:48:00 prot-na_16100.pdb -711339.395096 2026-07-27 08:48:47 prot-na_16200.pdb -785510.726379 2026-07-27 08:49:34 prot-na_16300.pdb -706249.939547 2026-07-27 08:50:21 prot-na_16400.pdb -559546.850717 2026-07-27 08:51:08 prot-na_16500.pdb -403243.058644 2026-07-27 08:51:56 prot-na_16600.pdb -656831.165706 2026-07-27 08:52:42 prot-na_16700.pdb -885144.558782 2026-07-27 08:53:30 prot-na_16800.pdb -606972.563721 2026-07-27 08:54:17 prot-na_16900.pdb -683517.004494 2026-07-27 08:55:04 prot-na_17000.pdb -595514.437147 2026-07-27 08:55:53 prot-na_17100.pdb -485462.166166 2026-07-27 08:56:40 prot-na_17200.pdb -351521.566183 2026-07-27 08:57:27 prot-na_17300.pdb -561159.098112 2026-07-27 08:58:15 prot-na_17400.pdb -389785.853149 2026-07-27 08:59:03 prot-na_17500.pdb -552661.012427 2026-07-27 08:59:50 prot-na_17600.pdb -936564.927506 2026-07-27 09:00:37 prot-na_17700.pdb -793815.19913 2026-07-27 09:01:24 prot-na_17800.pdb -923725.660971 2026-07-27 09:02:11 prot-na_17900.pdb -687671.087582 2026-07-27 09:02:58 prot-na_18000.pdb -1265307.4311 2026-07-27 09:03:46 prot-na_18100.pdb -604081.316375 2026-07-27 09:04:32 prot-na_18200.pdb -642068.043747 2026-07-27 09:05:19 prot-na_18300.pdb -487375.168412 2026-07-27 09:06:07 prot-na_18400.pdb -733009.135043 2026-07-27 09:06:54 prot-na_18500.pdb -688549.275679 2026-07-27 09:07:41 prot-na_18600.pdb -861131.086927 2026-07-27 09:08:29 prot-na_18700.pdb -869302.904404 2026-07-27 09:09:16 prot-na_18800.pdb -764290.309459 2026-07-27 09:10:03 prot-na_18900.pdb -638728.016131 2026-07-27 09:10:50 prot-na_19000.pdb -468919.676248 2026-07-27 09:11:37 prot-na_19100.pdb -486060.100804 2026-07-27 09:12:24 prot-na_19200.pdb -437651.923149 2026-07-27 09:13:11 prot-na_19300.pdb -381049.342598 2026-07-27 09:13:58 prot-na_19400.pdb -543627.432949 2026-07-27 09:14:45 prot-na_19500.pdb -456633.029472 2026-07-27 09:15:32 prot-na_19600.pdb -1078842.54275 2026-07-27 09:16:19 prot-na_19700.pdb -717345.24201 2026-07-27 09:17:06 prot-na_19800.pdb -640106.924382 2026-07-27 09:17:53 prot-na_19900.pdb -664843.583393 2026-07-27 09:18:40 prot-na_20000.pdb -874663.101191 2026-07-27 09:18:40 Varani starts 2026-07-27 09:18:41 [..]om OE2 in the GLU 325 msg prot-na_20000.pdb -874663.101191 - - - - - - - - - - - - - - - - - - - - Varani potenitial is now running ... msg Varani starts Traceback (most recent call last): File "/home/rpdock/run_gramm//DNP/laczony/QUASI-DNP-QDV_potential_1.0.py", line 542, in varani = subprocess.check_output(["/home/rpdock/run_gramm/DNP/laczony/score_complex","-f",plikV+"_var","-m","3_10_1_scores.txt"]) File "/usr/lib/python2.7/subprocess.py", line 574, in check_output raise CalledProcessError(retcode, cmd, output=output) subprocess.CalledProcessError: Command '['/home/rpdock/run_gramm/DNP/laczony/score_complex', '-f', '/home/rpdock/web/media/jobs/e0f14ade-f550-48bc-bcbb-a97c4e22d472/prot-na_10/prot-na_1000.pdb_var', '-m', '3_10_1_scores.txt']' returned non-zero exit status 255 Command exited with non-zero status 1 9381.40user 22.80system 2:37:44elapsed 99%CPU (0avgtext+0avgdata 255576maxresident)k 9782304inputs+2600outputs (22major+7160463minor)pagefaults 0swaps