Dear all
I want to get resn list of a selection "organic".
For example, the list of 2VOM would be ['HEM', 'KLN', 'HEM', 'KLN', 'HEM',
'KLN', 'HEM', 'KLN'].
Any suggestions would be appreciated.
Sincerely,
Tomoko
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Dear Martin
If you wish to add names at the top of each record, a short python program
is available in
http://www.redbrick.dcu.ie/~noel/talks/PythonForChemistry.pdf.
hope this helps
Tomoko
2008/5/24 Martin Stoermer :
> Hi folks,
> we often use Pymol to visualize SD files overlayed on protein
Dear Rob
Thanks a lot.
print_hb_list.py is really what I wanted.
As I'm a beginner of python, your script is very helpful.
Thanks again,
Tomoko
2008/5/6 Robert Campbell :
> Hi Tomoko,
>
> On Mon, 05 May 2008 18:26:17 +0900, Tomoko Niwa
> wrote:
>
> &g
Thanks for kind advices.
Whatif and PISA worked excellently, but I want to get the list within Pymol.
By parsing the pymol modules, I found
hb = cmd.find_pairs("((byres "+sss1+") and n;n)",
"((byres "+sss1+") and n;o)",mode=1,
cutoff=3
I would like to get a list of main-chain hydrogen bonds of a protein.
For example:
A/GLU`148/O A/TYR`151/N 3.13
A/PHE`152/N A/VAL`176/O 2.79
for 1NZL.pdb
Any suggestions and advices are greatly appreciated.
Thanks.
Tomoko
Dear Robert,
Thank you very much for your kind help.
I also tried "cmd.iterate()", and found it works well;
stored.resi = []
cmd.iterate("selection", "stored.resi.append(resi)")
Sincerely,
Tomoko
-
Easy + Joy + Powerfu
Dear all
I am a beginner in Python programming.
I would like to get lists of resn (residue names), resi (residue identifiers)
and atom ID of a selection.
For example, in case of 1IEP_organic;
[STI, STI], [201, 202], and [4639, 4640, 4641, …..] for resn, resi, and atom
ID, respec
