Conversion from CHARMM to Insight formats
Jeffrey L Nauss
naussjl at ucunix.san.uc.edu
Tue Jun 21 13:09:49 EST 1994
Help! After I left my previous place of employment, I wrote a paper
wrapping up a study performed there. A reviewer of the paper wants to
see some more calculations performed. (I can't argue with the
request. The additional calculations are very logical.) However, to
do these calculations, I need to convert CHARMM CRD files into Biosym
InsightII CAR files and vice versa. I tried to go from CRD to PDB to
CAR but the molecule does not display in InsightII. Apparently, there
is a mix up in residue names and the ends of the chains.
Does anyone have a conversion program or script? I do not believe the
program Babel has the formats I need. And my search of the CCL
archives did not turn up anything useful.
Please e-mail information to me directly to me. I'll be happy to
forward any request for a summary.
Jeff Nauss Texas A&M Class of '77
Department of Chemistry Gig 'em, Aggies!
University of Cincinnati
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