AMBER Archive (2002)

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

From: William Wei (william_at_phm.utoronto.ca)
Date: Thu May 02 2002 - 12:48:10 CDT

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 

--

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David A. Case                     |  e-mail:      case_at_scripps.edu
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