atom types

From: Jason McCary <>
Date: Tue 7 Dec 1999 15:16:33 -0500 (EST)

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

if anyone has any suggestions, please let me know.


Jason McCary
Department of Chemistry
Ohio State University
Columbus, OH 43210
614-292-4647 (FAX)
Received on Tue Dec 07 1999 - 12:16:33 PST
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