parhcsdx.pro / cis peptide
Axel T. Brunger
brunger at LAPLACE.CSB.YALE.EDU
Fri Apr 19 01:16:56 EST 1996
Use the follwing statement after reading the molecular structure
file and the parameter file (parhcsdx.pro)
dihe (name ca and resid <??>) ( name C and resid <??> )
( name N and resid <??+1>) ( name CA and resid <??+1> ) 1250.0 2 180.0
Use the actual residue numbers for <??> and <??+1>
> 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.
More information about the X-plor