Hi Jared,
The issue is that the all ligands are copied in one sele (and than
extracted to one object). Consequently I'd like to split it to separate
objects as the lig1.pdb lig2.pdb etc
James
2013/12/7 Sampson, Jared jared.samp...@nyumc.org
Hi James - If I understand you correctly, you just need to give a
selection argument to the save command.
save ligand1.pdb, sele1
save ligand2.pdb, sele2
etc...
See http://pymolwiki.org/index.php/Save for more info.
Cheers,
Jared
--
Jared Sampson
Xiangpeng Kong Lab
NYU Langone Medical Center
550 First Avenue
New York, NY 10016
212-263-7898
http://kong.med.nyu.edu/
On Dec 6, 2013, at 12:03 PM, James Starlight jmsstarli...@gmail.com
wrote:
Dear PyMol users!
I'd be thankfull if you provide me with the easliest way how I could save
selection to the separate pdbs. For example I've loaded 10 pdbs of the
receptor and selected from in each 10 ligands. This selection is defined in
one object (extracted or coppied from sele). How I could save it as 10
pdbs?
Also I have a question about addtion of the hyrogens to each ligand in
ensemble. How I could add hydrogens in accordance to the specified
protonation states of the ligands (manually providing total charge)?
Thanks for help,
James
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