@@ 349-420 (lines=72) @@ | ||
346 | pass |
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347 | ||
348 | ||
349 | def option_parser(): |
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350 | """Get options or show usage msg. |
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351 | """ |
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352 | description = '' |
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353 | version = __version__ |
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354 | usage = '\t%prog [-m <number_processes>] [-n <native_pdb_filename>] [-s <seq_ss_filename>] [-g <ignore_pdb_filename>] \ \n\t -o <output csv> <dir/*> # [!] no .csv! the file will get version of mqaprna \n\t' + __version__ |
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355 | parser = OptionParser(description=__doc__, |
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356 | version=version, |
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357 | usage=usage) |
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358 | ||
359 | parser.add_option("-q", "--mQapscore", |
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360 | action="store_true", default=False, dest="mqapscore", help="calculate mqapscore") |
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361 | ||
362 | parser.add_option("-v", "--verbose", |
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363 | action="store_true", default=False, dest="verbose", help="verbose") |
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364 | ||
365 | parser.add_option("--force", |
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366 | action="store_true", default=False) |
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367 | ||
368 | parser.add_option("-f", "--no-filename-version", |
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369 | action="store_true", default=False, dest="no_filename_version", help="don't add version of tool to csv filename") |
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370 | ||
371 | ||
372 | parser.add_option("-n", "--native_pdb_filename", |
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373 | action="store", type="string", dest="native_pdb_filename", help="native structure in PDB format to calculate RMSD") |
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374 | ||
375 | parser.add_option("-m", "--multiprocessing", |
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376 | action="store", type="int", dest="number_processes", default=8, |
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377 | help="set a number of processes, default=8, 0 is no multiprocessing") |
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378 | ||
379 | group2 = OptionGroup(parser, "Ignore pdbs, don't have empty lines here! Example", |
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380 | """1xjrA_output3-000142_AA.pdb |
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381 | 1xjrA_output3-000208_AA.pdb |
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382 | 1xjrA_output3-000166_AA.pdb""") |
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383 | ||
384 | group2.add_option("-g", "--ignore-pdbs", |
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385 | action="store", type="string", dest="ignore_pdb_filename") |
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386 | ||
387 | group = OptionGroup(parser, "Seq-SS. Example", |
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388 | """>1xjrA |
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389 | GAGUUCACCGAGGCCACGCGGAGUACGAUCGAGGGUACAGUGAAUU |
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390 | .(((((((...((((.((((.....))..))..))).).)))))))""") |
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391 | ||
392 | group.add_option("-t", "--methods", |
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393 | action="store", type="string", dest="methods", help=', '.join(['RASP', 'SimRNA', 'AnalyzeGeometry','FARNA', 'QRNA', 'NAST_pyro', |
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394 | 'radius_of_gyration', 'SSAgreement', 'ClashScore', 'RNAkb', |
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395 | 'RNAkb_all', 'FARNA_hires', 'FARNA', 'FARFAR2', |
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396 | 'FARFAR2_hires', 'Dfire', 'RNA3DCNN', 'eSCORE'])) |
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397 | ||
398 | group.add_option("-s", "--seq-ss", |
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399 | action="store", type="string", dest="seq_ss_filename", help="") |
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400 | ||
401 | group.add_option("-o", "--output", |
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402 | action="store", type="string", dest="output", help="output csv file") |
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403 | ||
404 | group.add_option("-l", "--list-of-files", |
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405 | action="store", type="string", dest="list_of_files", help="list of files") |
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406 | ||
407 | ||
408 | parser.add_option_group(group) |
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409 | parser.add_option_group(group2) |
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410 | ||
411 | (opt, arguments) = parser.parse_args() |
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412 | ||
413 | arguments = [f for f in arguments if f.endswith('.pdb')] |
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414 | ||
415 | if len(arguments) == 0: |
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416 | parser.print_help() |
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417 | print('\n Curr methods: ', ','.join(methods), end=' ') |
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418 | sys.exit(1) |
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419 | ||
420 | return arguments, opt |
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421 | ||
422 | ||
423 | class RunAllDirectory(): |
@@ 329-397 (lines=69) @@ | ||
326 | pass |
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327 | ||
328 | ||
329 | def option_parser(): |
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330 | """Get options or show usage msg. |
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331 | """ |
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332 | description = '' |
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333 | version = __version__ |
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334 | usage = '\t%prog [-m <number_processes>] [-n <native_pdb_filename>] [-s <seq_ss_filename>] [-g <ignore_pdb_filename>] \ \n\t -o <output csv> <dir/*> # [!] no .csv! the file will get version of mqaprna \n\t' + __version__ |
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335 | parser = OptionParser(description=__doc__, |
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336 | version=version, |
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337 | usage=usage) |
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338 | ||
339 | parser.add_option("-q", "--mQapscore", |
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340 | action="store_true", default=False, dest="mqapscore", help="calculate mqapscore") |
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341 | ||
342 | parser.add_option("-v", "--verbose", |
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343 | action="store_true", default=False, dest="verbose", help="verbose") |
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344 | ||
345 | parser.add_option("-f", "--no-filename-version", |
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346 | action="store_true", default=False, dest="no_filename_version", help="don't add version of tool to csv filename") |
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347 | ||
348 | ||
349 | parser.add_option("-n", "--native_pdb_filename", |
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350 | action="store", type="string", dest="native_pdb_filename", help="native structure in PDB format to calculate RMSD") |
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351 | ||
352 | parser.add_option("-m", "--multiprocessing", |
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353 | action="store", type="int", dest="number_processes", default=1, |
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354 | help="set a number of processes, default=8, 0 is no multiprocessing") |
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355 | ||
356 | group2 = OptionGroup(parser, "Ignore pdbs, don't have empty lines here! Example", |
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357 | """1xjrA_output3-000142_AA.pdb |
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358 | 1xjrA_output3-000208_AA.pdb |
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359 | 1xjrA_output3-000166_AA.pdb""") |
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360 | ||
361 | group2.add_option("-g", "--ignore-pdbs", |
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362 | action="store", type="string", dest="ignore_pdb_filename") |
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363 | ||
364 | group = OptionGroup(parser, "Seq-SS. Example", |
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365 | """>1xjrA |
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366 | GAGUUCACCGAGGCCACGCGGAGUACGAUCGAGGGUACAGUGAAUU |
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367 | .(((((((...((((.((((.....))..))..))).).)))))))""") |
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368 | ||
369 | group.add_option("-t", "--methods", |
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370 | action="store", type="string", dest="methods", help=', '.join(['RASP', 'SimRNA', 'AnalyzeGeometry','FARNA', 'QRNA', 'NAST_pyro', |
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371 | 'radius_of_gyration', 'SSAgreement', 'ClashScore', 'RNAkb', |
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372 | 'RNAkb_all', 'FARNA_hires', 'FARNA', 'FARFAR2', |
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373 | 'FARFAR2_hires', 'Dfire', 'RNA3DCNN', 'eSCORE'])) |
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374 | ||
375 | group.add_option("-s", "--seq-ss", |
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376 | action="store", type="string", dest="seq_ss_filename", help="") |
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377 | ||
378 | group.add_option("-o", "--output", |
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379 | action="store", type="string", dest="output", help="output csv file") |
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380 | ||
381 | group.add_option("-l", "--list-of-files", |
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382 | action="store", type="string", dest="list_of_files", help="list of files") |
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383 | ||
384 | ||
385 | parser.add_option_group(group) |
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386 | parser.add_option_group(group2) |
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387 | ||
388 | (opt, arguments) = parser.parse_args() |
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389 | ||
390 | arguments = [f for f in arguments if f.endswith('.pdb')] |
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391 | ||
392 | if len(arguments) == 0: |
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393 | parser.print_help() |
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394 | print('\n Curr methods: ', ','.join(methods), end=' ') |
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395 | sys.exit(1) |
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396 | ||
397 | return arguments, opt |
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398 | ||
399 | ||
400 | class RunAllDirectory(): |