Thanks Marius
With the second it works
A bientot
Stephane
-Message d'origine-
De : Marius Retegan [mailto:marius.s.rete...@gmail.com]
Envoyé : jeudi 22 septembre 2011 18:02
À : intra\sa175950
Objet : Re: [PyMOL] Write in a file the number of water at a distance from a
---
Message: 7
Date: Thu, 22 Sep 2011 11:14:36 +0200
From: Thomas Holder
Subject: Re: [PyMOL] Write in a file the number of water at a distance
from a protein surface
To: ABEL Stephane 175950
Cc: "pymol-users@lists.sourceforge.net"
Message-ID: <4e7afc7
Hi Stephane,
you can select those waters using the "within" or "gap" selection
operators. "within" measures from the atom centre, whereas "gap" takes
the VDW radius into accout but selects everything beyond instead of
near. Have a look at those examples:
# use '... within ...'
select firstshel
