Mercurial > repos > jay > pdaug_word_vector_descriptor
comparison PDAUG_Peptide_CD_Spectral_Analysis/PDAUG_Peptide_CD_Spectral_Analysis.py @ 5:8de738fa6552 draft
"planemo upload for repository https://github.com/jaidevjoshi83/pdaug commit ac4353ca5c0ac9ce60df9f4bf160ed08b99fbee3"
author | jay |
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date | Thu, 28 Jan 2021 04:24:11 +0000 |
parents | a3a1d9bea1ad |
children |
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4:66604715c8e9 | 5:8de738fa6552 |
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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 |