On Fri, 10 Apr 2009, Lalit Deshmukh wrote:
> Adding segid 'A' to PSF and MTF file does not give the desired result. Both
> CNS/XPLOR still give the same error.
This could depend on how you're adding the segid. CNS & XPLOR treat the
segid as a 4 character string and so the placement of the A within that
string could be critical. If you add the A using CNS's generate.inp or
generate_seq.inp then it should match up with the restraints OK, I think.
Wim enforces the four character segid in the output restraints - another
possibility would be to remove all the segid references with a global
search & replace on the restraint file.
Dr. Brian O. Smith ---------------------- B Smith at bio gla ac uk
Division of Molecular & Cellular Biology,
Faculty of Biomedical & Life Sciences,
Joseph Black Building, University of Glasgow, Glasgow G12 8QQ, UK.
Tel: 0141 330 5167/6459/3089 Fax: 0141 330 4600
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