Hi Chen, you can do this in PyMOL with the "supercell" script: http://pymolwiki.org/index.php/supercell
I recomment to have only lines or ribbon representation shown when calling supercell. If you show cartoon or surface and generate a lot of symmetry mates, it might be slow and memory-intensive. To save them all to one PDB without conflicting atom identifiers, you can assign unique segment identifiers for each model: PyMOL> alter m*, segi=model[1:4]+model[5:] PyMOL> save crystal.pdb, m* Cheers, Thomas Chen Zhao wrote, On 08/01/13 03:52: > Dear all, > > I have been trying to search some softwares/applications that can > display the crystal space group "lattice" based on the input of cell > dimension and space group. Ideally, it can also apply the arbitrary > symmetry operation to a molecule with given orientation and position in > the unit cell. It would be perfect if it can output a PDB file. Does > anybody heard of something like that? > > I know it might not be too hard to be realized with a script just > modifying the coordinates, > but unluckily I am not a programmer. And actually, even some simple PDB > files of different space group, in which molecules are represented as > dots, would be helpful. > > Thank you so much! > > Sincerely, > Chen Zhao -- Thomas Holder PyMOL Developer Schrödinger Contractor ------------------------------------------------------------------------------ Get your SQL database under version control now! Version control is standard for application code, but databases havent caught up. So what steps can you take to put your SQL databases under version control? Why should you start doing it? Read more to find out. http://pubads.g.doubleclick.net/gampad/clk?id=49501711&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
