Hi,
I noticed that psfGen.seqToPSF() returns incorrect starting residue when
this number is >1000. Looking at the code it turned out that only thee
digits were used to extract the residue number:
if line.startswith('ATOM'):
res = line[17:21]
resid = int(line[23:26])
if not beginResid: beginResid=resid
Simply changing the limits to 22:26 corrects the problem.
Cheers
Igor
--
Dr. Igor Barsukov
Biological NMR Centre,
University of Leicester
PO Box 138,
University Road,
Henry Wellcome Building,
Leicester LE1 9HN
UK
E-mail: [email protected]
Tel: +44 (0)116 229 7098
FAX: +44 (0)116 229 7053
