Mercurial > repos > jay > pdaug_peptide_ngrams
comparison PDAUG_Peptide_CD_Spectral_Analysis/PDAUG_Peptide_CD_Spectral_Analysis.py @ 5:d7e684975db3 draft
"planemo upload for repository https://github.com/jaidevjoshi83/pdaug commit ac4353ca5c0ac9ce60df9f4bf160ed08b99fbee3"
| author | jay |
|---|---|
| date | Thu, 28 Jan 2021 04:05:16 +0000 |
| parents | 7557b48b2872 |
| children |
comparison
equal
deleted
inserted
replaced
| 4:cb2b359a6600 | 5:d7e684975db3 |
|---|---|
| 69 else: | 69 else: |
| 70 pass | 70 pass |
| 71 | 71 |
| 72 if sys.argv[1] == "PlotData": | 72 if sys.argv[1] == "PlotData": |
| 73 | 73 |
| 74 os.system('ls temp') | |
| 75 | |
| 76 if args.Type == "mean residue ellipticity": | 74 if args.Type == "mean residue ellipticity": |
| 77 | 75 |
| 78 cd = CD(args.DirPath, wmin=int(args.WMin), wmax=int(args.Wmax), amide=args.Amide, pathlen=float(args.Pathlen)) | 76 cd = CD(args.DirPath, wmin=int(args.WMin), wmax=int(args.Wmax), amide=args.Amide, pathlen=float(args.Pathlen)) |
| 79 cd.calc_meanres_ellipticity() | 77 cd.calc_meanres_ellipticity() |
| 80 cd.plot(data="mean residue ellipticity", combine='solvent') | 78 cd.plot(data="mean residue ellipticity", combine='solvent') |
| 117 | 115 |
| 118 if sys.argv[1] == "helicity": | 116 if sys.argv[1] == "helicity": |
| 119 cd = CD(args.DirPath, wmin=int(args.WMin), wmax=int(args.Wmax), amide=args.Amide, pathlen=float(args.Pathlen)) | 117 cd = CD(args.DirPath, wmin=int(args.WMin), wmax=int(args.Wmax), amide=args.Amide, pathlen=float(args.Pathlen)) |
| 120 cd.calc_meanres_ellipticity() | 118 cd.calc_meanres_ellipticity() |
| 121 cd.helicity(temperature=float(args.temperature), k=float(args.k), induction=args.Induction, filename=args.OutPut ) | 119 cd.helicity(temperature=float(args.temperature), k=float(args.k), induction=args.Induction, filename=args.OutPut ) |
| 122 | |
| 123 | |
| 124 | |
| 125 |