RE: Carnal BUG?? --- How can I get the correct residue number?

From: William Wei <>
Date: Thu 2 May 2002 12:48:10 -0500

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, -inpcrd test.crd, -restrt test.rst. Sorry for my maive.


-----Original Message-----
From: David Case []
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:
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            |
Received on Thu May 02 2002 - 10:48:10 PDT
Custom Search