[Xplor-nih] Problems Generating the template.pdb

[Peter Teriete]

Hi all,

Started using Xplor-NIH for some structure calculations (used CNS
previously, tough that was some time ago). I have troubles generating a
useful template.pdb structure or my protein using the mkpsf.inp scripts in
the eginput directory (i.e. modifying the protG_mkpsf.inp). It generates a
psf file which looks correct, although I don't seem to see the connect
information for the peptide bonds, and a pdb file where the peptide bonds
are missing. All the residues are placed along the x-axis, as anticipated,
but the distances between the residues is too large for the peptide bonds to
be recognised. I ran the unmodified perotG-mkpsf.inp and have the same
problem. Any advice on what I'm doing wrong?

The calculations are performed using Xplor-NIH 2.13 build for Darwin 7.9.0
on a Mac G5 operating OSX 10.3.9

Thanks,

Peter


-- 
Peter Teriete
The Burnham Institute
10901 N Torrey Pines Rd
La Jolla, CA, 92037
+1 858 646 3100 ext.3724