Mercurial > repos > jay > pdaug_addclasslabel
diff PDAUG_Peptide_CD_Spectral_Analysis/PDAUG_Peptide_CD_Spectral_Analysis.py @ 5:658dcb7f39f9 draft
"planemo upload for repository https://github.com/jaidevjoshi83/pdaug commit ac4353ca5c0ac9ce60df9f4bf160ed08b99fbee3"
author | jay |
---|---|
date | Thu, 28 Jan 2021 04:32:15 +0000 |
parents | 2df11ea23f10 |
children |
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--- a/PDAUG_Peptide_CD_Spectral_Analysis/PDAUG_Peptide_CD_Spectral_Analysis.py Tue Jan 12 19:57:15 2021 +0000 +++ b/PDAUG_Peptide_CD_Spectral_Analysis/PDAUG_Peptide_CD_Spectral_Analysis.py Thu Jan 28 04:32:15 2021 +0000 @@ -71,8 +71,6 @@ if sys.argv[1] == "PlotData": - os.system('ls temp') - if args.Type == "mean residue ellipticity": cd = CD(args.DirPath, wmin=int(args.WMin), wmax=int(args.Wmax), amide=args.Amide, pathlen=float(args.Pathlen)) @@ -119,7 +117,3 @@ cd = CD(args.DirPath, wmin=int(args.WMin), wmax=int(args.Wmax), amide=args.Amide, pathlen=float(args.Pathlen)) cd.calc_meanres_ellipticity() cd.helicity(temperature=float(args.temperature), k=float(args.k), induction=args.Induction, filename=args.OutPut ) - - - -