Hi Krisztina,
check the attached script (strongly modified). It doesn't use a regex
anymore, but uses a split function which takes parentheses into account.
Also it doesn't parse name and resi, but passes the selection string
directly to PyMOL (which understands most of CNS selection syntax!).
noe_regex pattern so that it is
recognised?
Thanks in advance,
regards,
Krisztina
--- On Mon, 10/29/12, Thomas Holder wrote:
From: Thomas Holder
Subject: Re: [PyMOL] visualise NOEs
To: "Krisztina Feher" , "pymol-users"
Date: Monday, October 29, 2012, 4:23 PM
Hi Krisztina,
Dear Krisztina,
alternatively you could use Xwalk for visualizing distance constraints on PDB
structures. Please have a look at the webserver (www.xwalk.org) or download the
software if you find it useful (http://www.xwalk.org/cgi-bin/download.cgi).
With Xwalk you can calculate surface distance
10/29/2012 04:06 PM, Krisztina Feher wrote:
Sure, thanks for looking at it!
Krisztina
--- On *Mon, 10/29/12, Thomas Holder wrote:
From: Thomas Holder
Subject: Re: [PyMOL] visualise NOEs
To: "Krisztina Feher"
Date: Monday, October 29, 2012, 4:04 PM
Hi Krisztina,
Hi Thomas,
thanks a lot for your reply! Now I was running the
script from command line and executed it: it did not display anything on
the structure. I inserted a couple of print statements into the script
(attached), but it seems that the "noe_regex" is not being found in the
variable "line"
Hi Krisztina,
in PyMOL version 1.2 you cannot install this script as a "Plugin" (in
version 1.5 you can!). Instead, use the "run" command to load it.
PyMOL> run path/to/plot_noe.py
PyMOL> plot_noe path/to/restraints.file
See also:
http://pymolwiki.org/index.php/Run
Cheers,
Thomas
On 28.10.
