To: Andrej Sali <sali@rockvax>, , modeller_usage <modeller_usage>
Subject: Re: Creating new residue types
From: David Edwards <>
Date: Thu, 09 Jul 1998 16:06:51 +0100
Also the InsightII 98.0 version of InsightII will have an RTF writer that
will enable the user to write out the RTF for MODELER and automatically
write the .top file which includes this in the calculation......
David
At 10:29 AM 7/9/98 -0400, Andrej Sali wrote:
>Another note on new residue types:
>
>Version 5 of modeller, to be released by the end of August, is
>compatible with the QUANTA RTF editor. So the easiest way to generate a
>new RTF entry would be to use QUANTA's RTF editor, write it out, and
>include it in the MODELLER lib file. Also, we will have many more
>molecules/residues in the standard MODELLER RTF library to begin with.
>
>I know, not everybody has access to QUANTA ...
>
>Best, Andrej
>
>--
>Andrej Sali, Assistant Professor
>The Rockefeller University, 1230 York Avenue, New York, NY 10021-6399
>tel +1 212 327 7550; lab +1 212 327 7206 ; fax +1 212 327 7540
>e-mail ; http://salilab.org
>
>
>
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Dr David J. Edwards
Product Manager, Proteins Tel: (619) 799 5374
Molecular Simulations Inc. Fax: (619) 458 0136
9685 Scranton Road http://www.msi.com
San Diego, CA 92121-3752.
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