[Xplor-nih] pdbToSeq

[igor barsukov]

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,
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E-mail: igb2 at le.ac.uk
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