On Sun, Mar 23, 2003, Giulio Rastelli wrote:
> I would like to write a mol2 file of a protein with stbyl atom types and
> amber charges, starting from a pdb. Antechamber seems to produce mol2
> files
> with aminoacid residues all numbered 1
Antechamber is designed to work with single residues (such as ligands),
and not (yet?) with polymers. You might be able to create a script to
edit antechamber's output, but there is a fair amount of coding involved
to get exactly what you are looking for.
...good luck...dac
--
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David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Sat Mar 22 2003 - 18:53:01 PST
