Subject: Conversion from CHARMM to Insight and vice versa

From: [email-masked] (Jeffrey L. Nauss)
Date: Tue, 21 Jun 1994 14:08:28 -0400

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

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*  UU    UU             Jeffrey L. Nauss, PhD                              *
*  UU    UU             Director, Molecular Modeling Services              *
*  UU    UU             Department of Chemistry                            *
*  UU    UU CCCCCCC     University of Cincinnati                           *
*   UU  UU CCCCCCCC     Cincinnati, OH 45221-0172                          *
*    UUUU CC                                                               *
*         CC            Telephone: 513-556-0148    Fax: 513-556-9239       *
*         CC                                                               *
*          CCCCCCCC     e-mail: [email-masked]                    *
*           CCCCCCC                                                        *
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