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




More information about the Bio-soft mailing list