mqaprna.py

ver: 52e618e-dirty

start  2017-08-18 14:46:03
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Seq ss fn                   /home/mqapRNA/mqapRNAweb/media/jobs/b6b5dc19-d5ba-47fe-9df2-b54c02475b11/ss.txt
Output csv                  /home/mqapRNA/mqapRNAweb/media/jobs/b6b5dc19-d5ba-47fe-9df2-b54c02475b11/b6b5dc1_raw.csv
Input files                 #1 ['input/UR1_1745_manA_cl5.pdb']
RNAkb                       5pt
Model path                  /home/magnus/Dropbox/WORK_/mqaprna-papier/SVMlin.rda
Multiprocessing             on
Verbose                     off
Ignore pdb fn               off
Methods                     ClashScore,AnalyzeGeometry,FARNA,SimRNA_0,RNAscore,eSCORE,RNAkb,SSAgreement,FARNA_hires,RASP,RNAkb_all
rmsd                        biopython_all
Native pdb                  off
RASP                        all
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AnalyzeGeometry             on
SSAgreement                 on
 pdb_id               >seq
 ref_seq              GUUGGACGCAACAUGGGAGUGACUGAAUAAACUUACUGGCAACCGCUGGUUAAGGUGAUGAGACACAGGUGGUGCUGCUGCUCGCAAGGGUAGAACCGAUCAACCAAUCGGGUCUCAGGCAAUAACGUAUUUACUUACUGUAGUAAUGCCCGUUAUUUGUUGGUAUACAGGAAUCCAACCUCCCUCCU
 ref_ss               ..............(((((...............((((((....))))))...(.(..((((((.............((((((....))))))..((((........))))))))))).)((((((....((((........)))).....)))))).(((((...........))))))))))....
 to ignore 0 []
 files to analyze: 1 ['input/UR1_1745_manA_cl5.pdb']
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[--------------------------------------------------------------------------------]      1 100.0 % 1 10
True UR1_1745_manA_cl5.pdb {'AnalyzeGeometry': 29.7872, 'eSCORE': 3.77645, 'FARNA': ['-80.239', '-20.253', '-47.277', '-296.488', '-40.082', '-690.285', '77.263', '180.275', '-51.52', '-936.302', '0.0', '0.0', '32.306', '0.0'], 'ClashScore': 123.692512, 'length': 188, 'SimRNA_0': ['0', '-1504.249488', '-726.942', '-197.622', '-5.801', '-771.506038', '-81.393', '-157.434', '-103.690', '-63.371', '-365.619', '', '-1504.249488'], 'FARNA_hires': ['0.0', '-878.604', '-6.845', '0.0', '6.904', '28.86', '-766.659', '41.353', '-478.427', '4.779', '-286.027', '84.091', '-17.027', '480.689', '29.704'], 'RNAscore': 23.5796, 'RASP': ['8.1346', '2269', '0.0035851', '21.4735', '5.41099', '-2.46516', '-14745.1', '140110', '-0.10524', '-14116.6', '77.8453', '-8.0748', '-32994.6', '318740', '-0.103516', '-31241.4', '126.753', '-13.8313', '-75507.2', '1090452', '-0.0692439', '0', '0', '0'], 'RNAkb': ['5.73890e+04', '3.56759e+04', '1.85236e+04', '6.01855e+01', '0.00000e+00', '0.00000e+00', '-2.32803e-03', '0.00000e+00', '1.11649e+05', '3.85585e-09', '1.11649e+05'], 'RNAkb_all': ['5.73890e+04', '3.56759e+04', '1.85236e+04', '6.01855e+01', '0.00000e+00', '0.00000e+00', '-1.91369e-03', '0.00000e+00', '1.11649e+05', '3.85585e-09', '1.11649e+05'], 'SSAgreement': '0.705'}

Cmd: mqaprna.py -s /home/mqapRNA/mqapRNAweb/media/jobs/b6b5dc19-d5ba-47fe-9df2-b54c02475b11/ss.txt -m 6 -f -o /home/mqapRNA/mqapRNAweb/media/jobs/b6b5dc19-d5ba-47fe-9df2-b54c02475b11/b6b5dc1_raw.csv input/UR1_1745_manA_cl5.pdb
Execution time: 0:18:08.075 process: 6 start: 14:46:03 end: 15:04:11  
Output: /home/mqapRNA/mqapRNAweb/media/jobs/b6b5dc19-d5ba-47fe-9df2-b54c02475b11/b6b5dc1_raw.csv 

logging: /home/mqapRNA/mqapRNAweb/media/jobs/b6b5dc19-d5ba-47fe-9df2-b54c02475b11/b6b5dc1_raw.log
logging wrappers /home/mqapRNA/mqaprna_env/log/