On Wed, Jun 04, 2003, GUILBAUD Philippe 153683 wrote:
>
>
> Unfortunately, when I save a pdb file in leap, or when I generate this pdb
> using anal and the .top and .cor files, it reassign the residues number
> (starting from 1 to "total number of residues"). Residues numbers are only
> kept in the UNIT (saveoff) leap file.
>
> Does anybody know a way to save (or generate) pdb files keeping the original
> residues numbers?
>
This has long been a feature request for Amber, but is not implemented (yet?).
For now, you would have to write your own little scripts to convert the amber
residue numbers to the ones you want.
...regards...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 Wed Jun 04 2003 - 18:53:02 PDT
