From: kanika s. <ksh...@gm...> - 2017-01-27 11:21:42
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Thanks Jared. First part, is perfect. So pseudo atom lies between nitrogen atoms. Second part, I don't have specific xyz coordinates because it is centre of a tunnel in the protein and that's the struggle. On Thu, Jan 26, 2017 at 10:01 PM, Sampson, Jared M. < jm...@cu...> wrote: > Hi Kanika - > > You can get more information on the wiki: https://pymolwiki.org/ > index.php/Pseudoatom. > > To answer your specific questions, to make a pseudoatom between the two > terminal Ns of Arg 100 on chain A of myobj: > > ``` > pseudoatom my_ps1, myobj and chain A and resi 100 and name NH1+NH2 > ``` > > and to place a pseudoatom at a specific XYZ coordinate, pass the `pos` > parameter with a 3-tuple of floats: > > ``` > pseudoatom my_ps2, pos=[1.0, 2.0, 3.0] > ``` > > Hope that helps. > > Cheers, > Jared > > > On Jan 26, 2017, at 8:58 AM, kanika sharma <ksh...@gm...> wrote: > > > > Dear PyMol Users, > > I asked this question but no body replied so I am trying again. > > I am struggling here two things. > 1). I want to place a pseudo > > atom in the charge centre of a non aromatic residue, like arginine. > 2). Is it possible to place > a > pseudo > > atom in the centre of a cavity in the protein? I am thinking how can I > define the co ordinates of the position where I wan t to place the pseudo > > atom? > > Thanks > > -- > *Best,* > > *Kanika* > ------------------------------------------------------------ > ------------------ > Check out the vibrant tech community on one of the world's most > engaging tech sites, 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... > > > -- *Best,* *Kanika Sharma* |