Dear Colleagues,
according to the suggestion of Prof. Bruenger I got hold of what
appears to be the latest version of parhcsdx.pro and refined my model
which contains a cis peptide bond. Sure enough xplor made it trans again.
Is there anything else you are supposed to do ?
A while ago I edited my parameter and topology file and introduced a new
residue CAS for cis ASN. The refinement worked well. However I discovered
recently an error message which has escaped my attention till now.
Here are some lines from my log file :
PARRDR> @/xplor/param/parhcsdx_ace_LE.pro
ASSFIL: file xplor/param/parhcsdx_ace_LE.pro opened.
PARRDR>REMARK Parameter file including bond and angle parameters
PARRDR>REMARK derived from Cambridge Data Base model structures
PARRDR>REMARK (R. A. Engh and R. Huber, Acta Cryst. Sect. A., 1991).
PARRDR>REMARK Dihedral, improper, and non-bonded parameters taken e-mail
PARRDR>REMARK from param19x (XPLOR--Axel T. Brunger, Yale University,
PARRDR>REMARK BRUNGER at YALEVMS) and assigned to new atom types
PARRDR>REMARK where appropriate.
PARRDR>
PARRDR>set echo=false end
%COPYST-ERR: ST2MAX too small. Check code
Does anyone know what the error message means ?
Lothar Esser
_____________________________________________________________________
Lothar Esser
HHMI Dallas
5323 Harry Hines Blvd.
Dallas Texas 75235-9050
e-mail esser at chop.swmed.edu
