Mercurial > repos > abims-sbr > mutcount

comparison scripts/S01b_study_seq_composition_aa.py @ 5:0ba551449008 draft

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planemo upload for repository htpps://github.com/abims-sbr/adaptearch commit 273a9af69b672b2580cd5dec4c0e67a4a96fb0fe
author abims-sbr
date Tue, 27 Feb 2018 08:48:34 -0500
parents 5766f80370e7
children f1e24200e5ae
comparison
equal deleted inserted replaced
4:5766f80370e7 5:0ba551449008
404 ## 3 ## PathOUT 404 ## 3 ## PathOUT
405 405
406 ## 3.1 ## PROT composition 406 ## 3.1 ## PROT composition
407 fileOUT_PROT_ALL=open("./OUT/prot_compositions_All_AA.csv","w") 407 fileOUT_PROT_ALL=open("./OUT/prot_compositions_All_AA.csv","w")
408 fileOUT_PROT_ALL.write("LOCUS,") 408 fileOUT_PROT_ALL.write("LOCUS,")
409 for taxa in LT: 409 for taxa in LT[0:-1]:
410 fileOUT_PROT_ALL.write("%s_prop_K,%s_prop_R,%s_prop_A,%s_prop_F,%s_prop_I,%s_prop_L,%s_prop_M,%s_prop_V,%s_prop_W,%s_prop_N,%s_prop_Q,%s_prop_S,%s_prop_T,%s_prop_H,%s_prop_Y,%s_prop_C,%s_prop_D,%s_prop_E,%s_prop_P,%s_prop_G," %(taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa)) 410 fileOUT_PROT_ALL.write("%s_prop_K,%s_prop_R,%s_prop_A,%s_prop_F,%s_prop_I,%s_prop_L,%s_prop_M,%s_prop_V,%s_prop_W,%s_prop_N,%s_prop_Q,%s_prop_S,%s_prop_T,%s_prop_H,%s_prop_Y,%s_prop_C,%s_prop_D,%s_prop_E,%s_prop_P,%s_prop_G," %(taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa))
411 fileOUT_PROT_ALL.write("%s_prop_K,%s_prop_R,%s_prop_A,%s_prop_F,%s_prop_I,%s_prop_L,%s_prop_M,%s_prop_V,%s_prop_W,%s_prop_N,%s_prop_Q,%s_prop_S,%s_prop_T,%s_prop_H,%s_prop_Y,%s_prop_C,%s_prop_D,%s_prop_E,%s_prop_P,%s_prop_G" %(LT[-1],LT[-1],LT[-1],LT[-1],LT[-1],LT[-1],LT[-1],LT[-1],LT[-1],LT[-1],LT[-1],LT[-1],LT[-1],LT[-1],LT[-1],LT[-1],LT[-1],LT[-1],LT[-1],LT[-1]))
411 fileOUT_PROT_ALL.write("\n") 412 fileOUT_PROT_ALL.write("\n")
412 413
413 ## 3.2 ## PROT IVYWREL 414 ## 3.2 ## PROT IVYWREL
414 fileOUT_IVYWREL=open("./OUT/IVYWREL.csv","w") 415 fileOUT_IVYWREL=open("./OUT/IVYWREL.csv","w")
415 fileOUT_IVYWREL.write("LOCUS,") 416 fileOUT_IVYWREL.write("LOCUS,")
416 for taxa in LT: 417 for taxa in LT[0:-1]:
417 fileOUT_IVYWREL.write("%s_count_IVYWREL,%s_prop_IVYWREL," %(taxa,taxa)) 418 fileOUT_IVYWREL.write("%s_count_IVYWREL,%s_prop_IVYWREL," %(taxa,taxa))
419 fileOUT_IVYWREL.write("%s_count_IVYWREL,%s_prop_IVYWREL" %(LT[-1],LT[-1]))
418 fileOUT_IVYWREL.write("\n") 420 fileOUT_IVYWREL.write("\n")
419
420 421
421 ## 3.3 ## PROT ERK_DNQTSHA 422 ## 3.3 ## PROT ERK_DNQTSHA
422 fileOUT_ERK_DNQTSH=open("./OUT/ERK_DNQTSH.csv","w") 423 fileOUT_ERK_DNQTSH=open("./OUT/ERK_DNQTSH.csv","w")
423 fileOUT_ERK_DNQTSH.write("LOCUS,") 424 fileOUT_ERK_DNQTSH.write("LOCUS,")
424 for taxa in LT: 425 for taxa in LT[0:-1]:
425 fileOUT_ERK_DNQTSH.write("%s_count_ERK,%s_prop_ERK,%s_count_DNQTSH,%s_prop_DNQTSH,%s_ratio_ERK_vs_DNQTSH," %(taxa,taxa,taxa,taxa,taxa)) 426 fileOUT_ERK_DNQTSH.write("%s_count_ERK,%s_prop_ERK,%s_count_DNQTSH,%s_prop_DNQTSH,%s_ratio_ERK_vs_DNQTSH," %(taxa,taxa,taxa,taxa,taxa))
427 fileOUT_ERK_DNQTSH.write("%s_count_ERK,%s_prop_ERK,%s_count_DNQTSH,%s_prop_DNQTSH,%s_ratio_ERK_vs_DNQTSH" %(LT[-1],LT[-1],LT[-1],LT[-1],LT[-1]))
426 fileOUT_ERK_DNQTSH.write("\n") 428 fileOUT_ERK_DNQTSH.write("\n")
427 429
428 ## 3.4 ## PROT EK_QH 430 ## 3.4 ## PROT EK_QH
429 fileOUT_EK_QH=open("./OUT/EK_QH.csv","w") 431 fileOUT_EK_QH=open("./OUT/EK_QH.csv","w")
430 fileOUT_EK_QH.write("LOCUS,") 432 fileOUT_EK_QH.write("LOCUS,")
431 for taxa in LT: 433 for taxa in LT[0:-1]:
432 fileOUT_EK_QH.write("%s_count_EK,%s_prop_EK,%s_count_QH,%s_prop_QH,%s_ratio_EK_vs_QH," %(taxa,taxa,taxa,taxa,taxa)) 434 fileOUT_EK_QH.write("%s_count_EK,%s_prop_EK,%s_count_QH,%s_prop_QH,%s_ratio_EK_vs_QH," %(taxa,taxa,taxa,taxa,taxa))
435 fileOUT_EK_QH.write("%s_count_EK,%s_prop_EK,%s_count_QH,%s_prop_QH,%s_ratio_EK_vs_QH" %(LT[-1],LT[-1],LT[-1],LT[-1],LT[-1]))
433 fileOUT_EK_QH.write("\n") 436 fileOUT_EK_QH.write("\n")
434
435 437
436 ## 3.5 ## PROT FYMINK_GARP 438 ## 3.5 ## PROT FYMINK_GARP
437 fileOUT_FYMINK_GARP=open("./OUT/FYMINK_GARP.csv","w") 439 fileOUT_FYMINK_GARP=open("./OUT/FYMINK_GARP.csv","w")
438 fileOUT_FYMINK_GARP.write("LOCUS,") 440 fileOUT_FYMINK_GARP.write("LOCUS,")
439 for taxa in LT: 441 for taxa in LT[0:-1]:
440 fileOUT_FYMINK_GARP.write("%s_count_FYMINK,%s_prop_FYMINK,%s_count_GARP,%s_prop_GARP," %(taxa,taxa,taxa,taxa)) 442 fileOUT_FYMINK_GARP.write("%s_count_FYMINK,%s_prop_FYMINK,%s_count_GARP,%s_prop_GARP," %(taxa,taxa,taxa,taxa))
443 fileOUT_FYMINK_GARP.write("%s_count_FYMINK,%s_prop_FYMINK,%s_count_GARP,%s_prop_GARP" %(LT[-1],LT[-1],LT[-1],LT[-1]))
441 fileOUT_FYMINK_GARP.write("\n") 444 fileOUT_FYMINK_GARP.write("\n")
442
443 445
444 ## 3.6 ## PROT AVLIMFYW 446 ## 3.6 ## PROT AVLIMFYW
445 fileOUT_AVLIMFYW=open("./OUT/AVLIMFYW.csv","w") 447 fileOUT_AVLIMFYW=open("./OUT/AVLIMFYW.csv","w")
446 fileOUT_AVLIMFYW.write("LOCUS,") 448 fileOUT_AVLIMFYW.write("LOCUS,")
447 for taxa in LT: 449 for taxa in LT[0:-1]:
448 fileOUT_AVLIMFYW.write("%s_count_AVLIMFYW,%s_prop_AVLIMFYW,%s_count_AVLIM,%s_prop_AVLIM,%s_count_FYW,%s_prop_FYW," %(taxa,taxa,taxa,taxa,taxa,taxa)) 450 fileOUT_AVLIMFYW.write("%s_count_AVLIMFYW,%s_prop_AVLIMFYW,%s_count_AVLIM,%s_prop_AVLIM,%s_count_FYW,%s_prop_FYW," %(taxa,taxa,taxa,taxa,taxa,taxa))
451 fileOUT_AVLIMFYW.write("%s_count_AVLIMFYW,%s_prop_AVLIMFYW,%s_count_AVLIM,%s_prop_AVLIM,%s_count_FYW,%s_prop_FYW" %(LT[-1],LT[-1],LT[-1],LT[-1],LT[-1],LT[-1]))
449 fileOUT_AVLIMFYW.write("\n") 452 fileOUT_AVLIMFYW.write("\n")
450 453
451 ## 3.7 ## PROT STNQ 454 ## 3.7 ## PROT STNQ
452 fileOUT_STNQ=open("./OUT/STNQ.csv","w") 455 fileOUT_STNQ=open("./OUT/STNQ.csv","w")
453 fileOUT_STNQ.write("LOCUS,") 456 fileOUT_STNQ.write("LOCUS,")
454 for taxa in LT: 457 for taxa in LT[0:-1]:
455 fileOUT_STNQ.write("%s_count_STNQ,%s_prop_STNQ," %(taxa,taxa)) 458 fileOUT_STNQ.write("%s_count_STNQ,%s_prop_STNQ," %(taxa,taxa))
459 fileOUT_STNQ.write("%s_count_STNQ,%s_prop_STNQ" %(LT[-1],LT[-1]))
456 fileOUT_STNQ.write("\n") 460 fileOUT_STNQ.write("\n")
457 461
458 ## 3.8 ## PROT RHKDE 462 ## 3.8 ## PROT RHKDE
459 fileOUT_RHKDE=open("./OUT/RHKDE.csv","w") 463 fileOUT_RHKDE=open("./OUT/RHKDE.csv","w")
460 fileOUT_RHKDE.write("LOCUS,") 464 fileOUT_RHKDE.write("LOCUS,")
461 for taxa in LT: 465 for taxa in LT[0:-1]:
462 fileOUT_RHKDE.write("%s_count_RHKDE,%s_prop_RHKDE,%s_count_RHK,%s_prop_RHK,%s_count_DE,%s_prop_DE," %(taxa,taxa,taxa,taxa,taxa,taxa)) 466 fileOUT_RHKDE.write("%s_count_RHKDE,%s_prop_RHKDE,%s_count_RHK,%s_prop_RHK,%s_count_DE,%s_prop_DE," %(taxa,taxa,taxa,taxa,taxa,taxa))
467 fileOUT_RHKDE.write("%s_count_RHKDE,%s_prop_RHKDE,%s_count_RHK,%s_prop_RHK,%s_count_DE,%s_prop_DE" %(LT[-1],LT[-1],LT[-1],LT[-1],LT[-1],LT[-1]))
463 fileOUT_RHKDE.write("\n") 468 fileOUT_RHKDE.write("\n")
464 469
465 ## 3.9 ## PROT DIDER CRITERIA 470 ## 3.9 ## PROT DIDER CRITERIA
466 fileOUT_PAYRE=open("./OUT/PAYRE-MVGDS.csv","w") 471 fileOUT_PAYRE=open("./OUT/PAYRE-MVGDS.csv","w")
467 fileOUT_PAYRE.write("LOCUS,") 472 fileOUT_PAYRE.write("LOCUS,")
468 for taxa in LT: 473 for taxa in LT[0:-1]:
469 fileOUT_PAYRE.write("%s_count_PAYRE,%s_prop_PAYRE,%s_count_AC,%s_prop_AC,%s_count_MVGDS,%s_prop_MVGDS,%s_ratio_PAYRE_vs_MVGDS,%s_ratio_AC_vs_MVGDS," %(taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa)) 474 fileOUT_PAYRE.write("%s_count_PAYRE,%s_prop_PAYRE,%s_count_AC,%s_prop_AC,%s_count_MVGDS,%s_prop_MVGDS,%s_ratio_PAYRE_vs_MVGDS,%s_ratio_AC_vs_MVGDS," %(taxa,taxa,taxa,taxa,taxa,taxa,taxa,taxa))
475 fileOUT_PAYRE.write("%s_count_PAYRE,%s_prop_PAYRE,%s_count_AC,%s_prop_AC,%s_count_MVGDS,%s_prop_MVGDS,%s_ratio_PAYRE_vs_MVGDS,%s_ratio_AC_vs_MVGDS" %(LT[-1],LT[-1],LT[-1],LT[-1],LT[-1],LT[-1],LT[-1],LT[-1]))
470 fileOUT_PAYRE.write("\n") 476 fileOUT_PAYRE.write("\n")
471 477
472 ## 3.10 ## PROT Total residue weight 478 ## 3.10 ## PROT Total residue weight
473 fileOUT_TotalResidueWeight=open("./OUT/TotalResidueWeight.csv","w") 479 fileOUT_TotalResidueWeight=open("./OUT/TotalResidueWeight.csv","w")
474 fileOUT_TotalResidueWeight.write("LOCUS,") 480 fileOUT_TotalResidueWeight.write("LOCUS,")
475 for taxa in LT: 481 for taxa in LT[0:-1]:
476 fileOUT_TotalResidueWeight.write("%s_Total_Residue_Weight," %taxa) 482 fileOUT_TotalResidueWeight.write("%s_Total_Residue_Weight," %taxa)
483 fileOUT_TotalResidueWeight.write("%s_Total_Residue_Weight" %LT[-1])
477 fileOUT_TotalResidueWeight.write("\n") 484 fileOUT_TotalResidueWeight.write("\n")
478 485
479 ## 3.11 ## PROT Total residue volume 486 ## 3.11 ## PROT Total residue volume
480 fileOUT_TotalResidueVolume=open("./OUT/TotalResidueVolume.csv","w") 487 fileOUT_TotalResidueVolume=open("./OUT/TotalResidueVolume.csv","w")
481 fileOUT_TotalResidueVolume.write("LOCUS,") 488 fileOUT_TotalResidueVolume.write("LOCUS,")
482 for taxa in LT: 489 for taxa in LT[0:-1]:
483 fileOUT_TotalResidueVolume.write("%s_Total_Residue_Volume," %taxa) 490 fileOUT_TotalResidueVolume.write("%s_Total_Residue_Volume," %taxa)
491 fileOUT_TotalResidueVolume.write("%s_Total_Residue_Volume" %LT[-1])
484 fileOUT_TotalResidueVolume.write("\n") 492 fileOUT_TotalResidueVolume.write("\n")
485 493
486 ## 3.12 ## PROT Total partial specific volume 494 ## 3.12 ## PROT Total partial specific volume
487 fileOUT_TotalPartialSpecificVolume=open("./OUT/TotalPartialSpecificVolume.csv","w") 495 fileOUT_TotalPartialSpecificVolume=open("./OUT/TotalPartialSpecificVolume.csv","w")
488 fileOUT_TotalPartialSpecificVolume.write("LOCUS,") 496 fileOUT_TotalPartialSpecificVolume.write("LOCUS,")
489 for taxa in LT: 497 for taxa in LT[0:-1]:
490 fileOUT_TotalPartialSpecificVolume.write("%s_Total_Partial_Specific_Volume," %taxa) 498 fileOUT_TotalPartialSpecificVolume.write("%s_Total_Partial_Specific_Volume," %taxa)
499 fileOUT_TotalPartialSpecificVolume.write("%s_Total_Partial_Specific_Volume" %LT[-1])
491 fileOUT_TotalPartialSpecificVolume.write("\n") 500 fileOUT_TotalPartialSpecificVolume.write("\n")
492 501
493 ## 3.13 ## PROT Total hydratation 502 ## 3.13 ## PROT Total hydratation
494 fileOUT_TotalHydratation=open("./OUT/TotalHydratation.csv","w") 503 fileOUT_TotalHydratation=open("./OUT/TotalHydratation.csv","w")
495 fileOUT_TotalHydratation.write("LOCUS,") 504 fileOUT_TotalHydratation.write("LOCUS,")
496 for taxa in LT: 505 for taxa in LT[0:-1]:
497 fileOUT_TotalHydratation.write("%s_Total_Hydratation," %taxa) 506 fileOUT_TotalHydratation.write("%s_Total_Hydratation," %taxa)
507 fileOUT_TotalHydratation.write("%s_Total_Hydratation" %LT[-1])
498 fileOUT_TotalHydratation.write("\n") 508 fileOUT_TotalHydratation.write("\n")
499
500 509
501 ##################### 510 #####################
502 ## 4 ## Process Loci 511 ## 4 ## Process Loci
503 ##################### 512 #####################
504 bash_aa_properties = aa_properties(fileIN_properties) 513 bash_aa_properties = aa_properties(fileIN_properties)
522 fileOUT_TotalResidueWeight.write("%s," %locus) 531 fileOUT_TotalResidueWeight.write("%s," %locus)
523 fileOUT_TotalResidueVolume.write("%s," %locus) 532 fileOUT_TotalResidueVolume.write("%s," %locus)
524 fileOUT_TotalPartialSpecificVolume.write("%s," %locus) 533 fileOUT_TotalPartialSpecificVolume.write("%s," %locus)
525 fileOUT_TotalHydratation.write("%s," %locus) 534 fileOUT_TotalHydratation.write("%s," %locus)
526 535
527 for taxa in LT: 536 for taxa in LT[0:-1]:
528 if taxa in bash.keys(): 537 if taxa in bash.keys():
529 seq = bash[taxa] 538 seq = bash[taxa]
530 prop_K,prop_R,prop_A,prop_F,prop_I,prop_L,prop_M,prop_V,prop_W,prop_N,prop_Q,prop_S,prop_T,prop_H,prop_Y,prop_C,prop_D,prop_E,prop_P,prop_G = aa_composition1(seq) ### DEF3 ### 539 prop_K,prop_R,prop_A,prop_F,prop_I,prop_L,prop_M,prop_V,prop_W,prop_N,prop_Q,prop_S,prop_T,prop_H,prop_Y,prop_C,prop_D,prop_E,prop_P,prop_G = aa_composition1(seq) ### DEF3 ###
531 count_IVYWREL,prop_IVYWREL,count_ERK,prop_ERK,count_DNQTSH,prop_DNQTSH,ratio_ERK_vs_DNQTSH,count_EK,prop_EK,count_QH,prop_QH,ratio_EK_vs_QH,count_FYMINK,prop_FYMINK,count_GARP,prop_GARP,count_AVLIMFYW,prop_AVLIMFYW,count_AVLIM,prop_AVLIM,count_FYW,prop_FYW,count_STNQ,prop_STNQ, count_MVGDS,prop_MVGDS, count_PAYRE,prop_PAYRE, count_AC,prop_AC, ratio_PAYRE_vs_MVGDS, ratio_AC_vs_MVGDS,count_RHKDE,prop_RHKDE,count_RHK,prop_RHK,count_DE,prop_DE = aa_composition2(seq) ### DEF4 ### 540 count_IVYWREL,prop_IVYWREL,count_ERK,prop_ERK,count_DNQTSH,prop_DNQTSH,ratio_ERK_vs_DNQTSH,count_EK,prop_EK,count_QH,prop_QH,ratio_EK_vs_QH,count_FYMINK,prop_FYMINK,count_GARP,prop_GARP,count_AVLIMFYW,prop_AVLIMFYW,count_AVLIM,prop_AVLIM,count_FYW,prop_FYW,count_STNQ,prop_STNQ, count_MVGDS,prop_MVGDS, count_PAYRE,prop_PAYRE, count_AC,prop_AC, ratio_PAYRE_vs_MVGDS, ratio_AC_vs_MVGDS,count_RHKDE,prop_RHKDE,count_RHK,prop_RHK,count_DE,prop_DE = aa_composition2(seq) ### DEF4 ###
532 Total_Residue_Weight,Total_Residue_Volume,Total_Partial_Specific_Volume,Total_Hydration = sequence_properties_from_aa_properties(seq, bash_aa_properties) ### DEF6 ### 541 Total_Residue_Weight,Total_Residue_Volume,Total_Partial_Specific_Volume,Total_Hydration = sequence_properties_from_aa_properties(seq, bash_aa_properties) ### DEF6 ###
556 fileOUT_PAYRE.write("%s,%s,%s,%s,%s,%s,%s,%s," %("NA","NA","NA","NA","NA","NA","NA","NA")) 565 fileOUT_PAYRE.write("%s,%s,%s,%s,%s,%s,%s,%s," %("NA","NA","NA","NA","NA","NA","NA","NA"))
557 fileOUT_TotalResidueWeight.write("%s," %"NA") 566 fileOUT_TotalResidueWeight.write("%s," %"NA")
558 fileOUT_TotalResidueVolume.write("%s," %"NA") 567 fileOUT_TotalResidueVolume.write("%s," %"NA")
559 fileOUT_TotalPartialSpecificVolume.write("%s," %"NA") 568 fileOUT_TotalPartialSpecificVolume.write("%s," %"NA")
560 fileOUT_TotalHydratation.write("%s," %"NA") 569 fileOUT_TotalHydratation.write("%s," %"NA")
561 570
571 if LT[-1] in bash.keys():
572 seq = bash[LT[-1]]
573 prop_K,prop_R,prop_A,prop_F,prop_I,prop_L,prop_M,prop_V,prop_W,prop_N,prop_Q,prop_S,prop_T,prop_H,prop_Y,prop_C,prop_D,prop_E,prop_P,prop_G = aa_composition1(seq) ### DEF3 ###
574 count_IVYWREL,prop_IVYWREL,count_ERK,prop_ERK,count_DNQTSH,prop_DNQTSH,ratio_ERK_vs_DNQTSH,count_EK,prop_EK,count_QH,prop_QH,ratio_EK_vs_QH,count_FYMINK,prop_FYMINK,count_GARP,prop_GARP,count_AVLIMFYW,prop_AVLIMFYW,count_AVLIM,prop_AVLIM,count_FYW,prop_FYW,count_STNQ,prop_STNQ, count_MVGDS,prop_MVGDS, count_PAYRE,prop_PAYRE, count_AC,prop_AC, ratio_PAYRE_vs_MVGDS, ratio_AC_vs_MVGDS,count_RHKDE,prop_RHKDE,count_RHK,prop_RHK,count_DE,prop_DE = aa_composition2(seq) ### DEF4 ###
575 Total_Residue_Weight,Total_Residue_Volume,Total_Partial_Specific_Volume,Total_Hydration = sequence_properties_from_aa_properties(seq, bash_aa_properties) ### DEF6 ###
576
577 fileOUT_PROT_ALL.write("%.5f,%.5f,%.5f,%.5f,%.5f,%.5f,%.5f,%.5f,%.5f,%.5f,%.5f,%.5f,%.5f,%.5f,%.5f,%.5f,%.5f,%.5f,%.5f,%.5f" %(prop_K,prop_R,prop_A,prop_F,prop_I,prop_L,prop_M,prop_V,prop_W,prop_N,prop_Q,prop_S,prop_T,prop_H,prop_Y,prop_C,prop_D,prop_E,prop_P,prop_G))
578 fileOUT_IVYWREL.write("%.5f,%.5f" %(count_IVYWREL, prop_IVYWREL))
579 fileOUT_ERK_DNQTSH.write("%.5f,%.5f,%.5f,%.5f,%.5f" %(count_ERK,prop_ERK,count_DNQTSH,prop_DNQTSH,ratio_ERK_vs_DNQTSH))
580 fileOUT_EK_QH.write("%.5f,%.5f,%.5f,%.5f,%.5f" %(count_EK,prop_EK,count_QH,prop_QH,ratio_EK_vs_QH))
581 fileOUT_FYMINK_GARP.write("%.5f,%.5f,%.5f,%.5f" %(count_FYMINK,prop_FYMINK,count_GARP,prop_GARP))
582 fileOUT_AVLIMFYW.write("%.5f,%.5f,%.5f,%.5f,%.5f,%.5f" %(count_AVLIMFYW,prop_AVLIMFYW,count_AVLIM,prop_AVLIM,count_FYW,prop_FYW))
583 fileOUT_STNQ.write("%.5f,%.5f" %(count_STNQ,prop_STNQ))
584 fileOUT_RHKDE.write("%.5f,%.5f,%.5f,%.5f,%.5f,%.5f"%(count_RHKDE,prop_RHKDE,count_RHK,prop_RHK,count_DE,prop_DE))
585 fileOUT_PAYRE.write("%.5f,%.5f,%.5f,%.5f,%.5f,%.5f,%.5f,%.5f" %(count_PAYRE,prop_PAYRE,count_AC,prop_AC,count_MVGDS,prop_MVGDS,ratio_PAYRE_vs_MVGDS,ratio_AC_vs_MVGDS))
586 fileOUT_TotalResidueWeight.write("%.5f" %Total_Residue_Weight)
587 fileOUT_TotalResidueVolume.write("%.5f" %Total_Residue_Volume)
588 fileOUT_TotalPartialSpecificVolume.write("%.5f" %(Total_Partial_Specific_Volume))
589 fileOUT_TotalHydratation.write("%.5f" % Total_Hydration)
590 else:
591 fileOUT_PROT_ALL.write("%s,%s,%s,%s,%s,%s,%s,%s,%s,%s,%s,%s,%s,%s,%s,%s,%s,%s,%s,%s" %("NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA","NA"))
592 fileOUT_IVYWREL.write("%s,%s" %("NA", "NA"))
593 fileOUT_ERK_DNQTSH.write("%s,%s,%s,%s,%s" %("NA","NA","NA","NA","NA"))
594 fileOUT_EK_QH.write("%s,%s,%s,%s,%s" %("NA","NA","NA","NA","NA"))
595 fileOUT_FYMINK_GARP.write("%s,%s,%s,%s" %("NA","NA","NA","NA"))
596 fileOUT_AVLIMFYW.write("%s,%s,%s,%s,%s,%s" %("NA","NA","NA","NA","NA","NA"))
597 fileOUT_STNQ.write("%s,%s" %("NA","NA"))
598 fileOUT_RHKDE.write("%s,%s,%s,%s,%s,%s"%("NA","NA","NA","NA","NA","NA"))
599 fileOUT_PAYRE.write("%s,%s,%s,%s,%s,%s,%s,%s" %("NA","NA","NA","NA","NA","NA","NA","NA"))
600 fileOUT_TotalResidueWeight.write("%s" %"NA")
601 fileOUT_TotalResidueVolume.write("%s" %"NA")
602 fileOUT_TotalPartialSpecificVolume.write("%s" %"NA")
603 fileOUT_TotalHydratation.write("%s" %"NA")
604
562 ## END LINE 605 ## END LINE
563 fileOUT_PROT_ALL.write("\n") 606 fileOUT_PROT_ALL.write("\n")
564 fileOUT_IVYWREL.write("\n") 607 fileOUT_IVYWREL.write("\n")
565 fileOUT_ERK_DNQTSH.write("\n") 608 fileOUT_ERK_DNQTSH.write("\n")
566 fileOUT_EK_QH.write("\n") 609 fileOUT_EK_QH.write("\n")