It helps a lot, now I see something!
Thanks all for your answers
G.GUENEGOU
-----Original Message-----
From: David A Case [mailto:case.biomaps.rutgers.edu]
Sent: mardi 17 mai 2011 16:06
To: AMBER Mailing List
Subject: Re: [AMBER] xleap as a molecular viewer
On Tue, May 17, 2011, Guenegou, Guillaume [ORDFR] wrote:
>
> I would like to use xleap as a molecular viewer (I know it is not the
> best idea on earth, but I have to!). I believe it is possible. I work
> with Amber11.
The usual way to just view molecules is this:
x = loadpdb <pdbfile>
bondbydistance x
edit x
You don't need to load any libraries to do this, and it works with
pretty
arbitrary molecules.
If you know you have just standard residues, you can load a library
(ff10
has the most up-to-date atom and residue names, consistent with PDB
version
3). Then you can skip the "bondbydistance" command.
Hope this helps...dac
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Received on Tue May 17 2011 - 07:30:05 PDT
