Dear PyMOL Users
I'm trying to remove water molecules from a crystal structure which are
on the crystal surface while preserving the ones within the crystal
interior.
What I do is:
select waters, resn HOH
# cmd.select(waters, (waters extend 1), enable=1)
get_area waters, load_b=1
remove waters
Hi Martin,
2012/10/4 Martin Hediger ma@bluewin.ch
Dear PyMOL Users
I'm trying to remove water molecules from a crystal structure which are
on the crystal surface while preserving the ones within the crystal
interior.
What I do is:
select waters, resn HOH
# cmd.select(waters,
Hi Vishwas,
you can use PDB format with CONECT records. You need to set
connect_mode=1 before loading the PDB file into PyMOL.
http://pymolwiki.org/index.php/Connect_mode
http://www.wwpdb.org/documentation/format33/sect10.html#CONECT
Hope that helps.
Cheers,
Thomas
Vishwas Vasisht wrote,
fwiw, I never figured out why the out-of-the-box build hung using the python
approach
but I went through the ./cogifure, make make install route
and did get the test molecules to display. However, I ran into lots of problems
with the ShaderMgr and
ccealignmodule and then finally the link was
CC: pymol-users@lists.sourceforge.net
From: li...@cowsandmilk.net
Subject: Re: [PyMOL] I just built pymol, comes up but hangs on any attempt to
view a test pdb.
Date: Thu, 4 Oct 2012 22:03:59 -0400
To: marchy...@hotmail.com
You don't need a
You don't need a license for the open source version.
If you provided details on what OS/distribution you are building on, people may
try to replicate and understand why the python version hung. In my experience,
using setup.py generally worked out of the box.
-David
On Oct 4, 2012, at 9:22
