Hi Krisztina,I slightly modified the script, see attachment. The regular expression is modified and I replaced "search" by "match".
The script could be further optimized (exception handling etc.) but with your example file it works fine now.
Cheers, Thomas On 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 <spel...@users.sourceforge.net>
Subject: Re: [PyMOL] visualise NOEs
To: "Krisztina Feher" <feher_kriszt...@yahoo.com>
Date: Monday, October 29, 2012, 4:04 PM
Hi Krisztina,
can you send me the restraints file and PDB file as well?
Cheers,
Thomas
On 10/29/2012 04:00 PM, Krisztina Feher wrote:
> 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" by
> the .search method (see the output below: match is None). The pdb
file
> does have residue 433 and all the listed atom names. The
noe_regex looks
> sort of complicated, I have no idea how to fix it. If anyone had
an idea
> how to fix it, I would very much appreciate it.
>
> Thanks,
> Krisztina
>
> ps. If this script works for on your system, please write me too!
-- Thomas Holder MPI for Developmental Biology Spemannstr. 35 D-72076 Tübingen
plot_noe.py
Description: application/chimera
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