Hi, Dac, I have used xleap - "savepdb" to get the PDB file. But the residue
number is different with the number I got from "desc" command in xleap. I
guess what I got from "desc" is the right one. Am I right? then what is the
difference between the two kind of residue number?
PS. Could you give me a example of how to use ambpdb. files: -prmtop
test.top, -inpcrd test.crd, -restrt test.rst. Sorry for my maive.
William.
-----Original Message-----
From: David Case [mailto:case_at_scripps.edu]
Sent: Thursday, May 02, 2002 10:41 AM
To: William Wei
Subject: Re: Carnal BUG?? --- How can I get the correct residue number?
On Thu, May 02, 2002, William Wei wrote:
>
> Attend to this problem. I am wondering how can I get the residue number?
I'm not sure I understand what you want, or what sybyl has to do with
your problem....using ambpdb or the "savePdb" command in LEaP you can
get a PDB-formatted version of your coordinates. This should provide
the residue and atom numbers.
...good luck...dac
--
==================================================================
David A. Case | e-mail: case_at_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 Thu May 02 2002 - 10:48:10 PDT
