On Wed, Mar 26, 2003, Giulio Rastelli wrote:
> is the antechamber's residue name (-rn BLA) keyword broken? Whatever input
> fomat I used (pdb, mol2..) the prep file produced always have the same
> residue name as the input.
As the help message indicates, the "-rn" switch is only active if the
residue name is not available from the input file. So the program is
working as designed.
But this was probably not a good design choice: we should modify the code so
that -rn overrides what is in the input file, since that would be useful in
many circumstances. (Junmei: what do you think about this?)
...thanks for the report....dac
--
==================================================================
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
==================================================================
Received on Fri Mar 28 2003 - 20:53:00 PST
