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
