Dear amber users,
Is there a tool or set of tools that makes automatic or semi-automatic type assignments for organic compounds? Xleap only has a spreadsheet for editing these properties, right?
More specifically I have a collection of organic compounds in pdb format that I would like to simulate using Amber and I need to create a lib for each one.
Thanks,
Tom
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Thomas C. Bishop, PhD.
Center for Bioenvironmental Research
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Tulane University Office
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Dept. of Environmental Health Sciences(SL-29)
School of Public Health & Trop. Medicine
1430 Tulane Avenue
New Orleans, LA 70112
Phone: 504-988-6203 Fax: 504-585-6428
Thomas.Bishop_at_tulane.edu
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Xavier University Office
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Division of Basic Pharmaceutical Sciences
College of Pharmacy
7325 Palmetto Street
New Orleans, LA 70125
Phone: 504-485-5106 Fax: 504-485-7930
Thomas.Bishop_at_xula.edu
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http://testosterone.cbr.tulane.edu
Received on Sat Sep 30 2000 - 14:37:29 PDT
