AMBER Archive (1999)

Subject: atom types

From: Jason McCary (jmccary_at_chemistry.ohio-state.edu)
Date: Tue Dec 07 1999 - 14:16:33 CST

Does anyone have a script that can convert atom types from one software
package to another. For example I would like convert atoms from Macromodel
to AMBER format. Simply creating a PDB in Macromodel and reading the PDB
file via xLeap doesn't create the proper atom types for AMBER. It is no
big problem to manually adjust the atom types for a single molecule,
however, we have several conformations to examine which would be quite
tedious.

if anyone has any suggestions, please let me know.

thanks.
Jason

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Jason McCary
Department of Chemistry
Ohio State University
Columbus, OH 43210
614-292-4459
614-292-4647 (FAX)
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