From: Subha K <sub...@gm...> - 2016-10-18 18:30:02
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Oh yeah, thanks a lot Gabriel Marques. I figured out the rms_cur part too. On Tue, Oct 18, 2016 at 12:23 PM, Gabriel Marques < gab...@sc...> wrote: > Looks like you’re missing a space in the string ‘and resn UNK’, it should > be: i + ‘ and resn UNK’ > > Regards, > Gabriel Marques > > On Oct 18, 2016, at 1:57 PM, Subha K <sub...@gm...> wrote: > > Hi There, > > I am trying to calculate the rmsd of all ligands loaded in the pymol with > reference to a reference ligand using a script. My current script looks > like this, > > > myobjects = cmd.get_object_list() > print myobjects > cmd.select('sele', "F60_target_14 and resn UNK") > cmd.create('obj01', 'sele') > for i in myobjects: > i = i.strip() > cmd.sele('sele', i +'and resn UNK') > cmd.create ('obj02', 'sele') > cmd.rms_cur ('obj02', 'obj01') > cmd.delete ('obj02') > > > obj01 will be my reference and I want to use rms_cur to all objects loaded. > The problems here are, > (1) My obj02 selection part is not working properly. I know I am not > calling the myobject list in the correct way. Could somebody help me fix > this? > (2) I want to write the rmsd values to a file. How can I do it? > > Thanks for the help. > > Regards, > Subha > > > ------------------------------------------------------------ > ------------------ > Check out the vibrant tech community on one of the world's most > engaging tech sites, SlashDot.org <http://slashdot.org>! > http://sdm.link/slashdot_______________________________________________ > PyMOL-users mailing list (PyM...@li...) > Info Page: https://lists.sourceforge.net/lists/listinfo/pymol-users > Archives: http://www.mail-archive.com/pym...@li... > > > |