What are you using to create the xyz file (and why can that software not write a pdb)? The command you have below is pretty simple. An alternative is also the xyzpdb program that comes as part of tinker. ( eg: xyzpdb graphite.xyz charmm22.prm gives you graphite.pdb )
-David On Tue, Mar 9, 2010 at 7:46 PM, Cun Zhang <apzc2...@gmail.com> wrote: > Hi,pymolers: > I want to create a pdb file for the structure of graphite. But my > method is a bit complex. > I create the xyz file,then call pymol to translate it into pdb format > with the command: > os.system('pymol -cd "load graphite.xyz;save graphite.pdb"') > > Is there any easy way to create pdb file with the information of > atoms' coordinates in pymol? > > Thank you! > > > Cun Zhang > Ph.D.Candidate > LNM, Institude of Mechanics > Chinese Academy of Sciences > Beijing 100190, China > Tel:86-10-82544204 > > ------------------------------------------------------------------------------ > Download Intel® Parallel Studio Eval > Try the new software tools for yourself. Speed compiling, find bugs > proactively, and fine-tune applications for parallel performance. > See why Intel Parallel Studio got high marks during beta. > http://p.sf.net/sfu/intel-sw-dev > _______________________________________________ > 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 > ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ 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