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
> ------------------------------------------------------------------------------
> Sponsored by Intel(R) XDK
> Develop, test and display web and hybrid apps with a single code base.
> Download it for free now!
>
> http://pubads.g.doubleclick.net/gampad/clk?id=111408631&iu=/4140/ostg.clktrk_______________________________________________
> PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
> Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
> Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
>
>
> ------------------------------------------------------------
> This email message, including any attachments, is for the sole use of the
> intended recipient(s) and may contain information that is proprietary,
> confidential, and exempt from disclosure under applicable law. Any
> unauthorized review, use, disclosure, or distribution is prohibited. If you
> have received this email in error please notify the sender by return email
> and delete the original message. Please note, the recipient should check
> this email and any attachments for the presence of viruses. The
> organization accepts no liability for any damage caused by any virus
> transmitted by this email.
> =================================
>
------------------------------------------------------------------------------
Sponsored by Intel(R) XDK
Develop, test and display web and hybrid apps with a single code base.
Download it for free now!
http://pubads.g.doubleclick.net/gampad/clk?id=111408631&iu=/4140/ostg.clktrk
_______________________________________________
PyMOL-users mailing list (PyMOL-users@lists.sourceforge.net)
Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users
Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net
