Hi Michael, PyMOL knows about gromacs files, but needs to better handle .gro files, specifically. Currently you have to export to a PDB to read the topology.
Please file this on the open-source tracker (https://sourceforge.net/tracker/?group_id=4546) and I'll get to it ASAP. Cheers, -- Jason On Mon, Aug 15, 2011 at 8:19 PM, Michael Daily <mdaily.w...@gmail.com> wrote: > Hi all, > > Is there a direct way to load a gromacs structure file (.gro) in PyMOL? I > know it's simple to convert them to pdb using editconf, but I want to load > gro files directly (as you can in vmd) because they permit higher max. atom > and residue numbers (100K vs. 10K for pdb) and permit longer residue names > (4 chars vs. 3 for vmd). > > Thanks, > Mike > > -- > ==================================== > Michael D. Daily > Postdoctoral research associate > Pacific Northwest National Lab (PNNL) > 509-375-4581 > (formerly Qiang Cui group, University of Wisconsin-Madison) > > ------------------------------------------------------------------------------ > uberSVN's rich system and user administration capabilities and model > configuration take the hassle out of deploying and managing Subversion and > the tools developers use with it. Learn more about uberSVN and get a free > download at: http://p.sf.net/sfu/wandisco-dev2dev > > _______________________________________________ > 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 > -- Jason Vertrees, PhD PyMOL Product Manager Schrodinger, LLC (e) jason.vertr...@schrodinger.com (o) +1 (603) 374-7120 ------------------------------------------------------------------------------ Get a FREE DOWNLOAD! and learn more about uberSVN rich system, user administration capabilities and model configuration. Take the hassle out of deploying and managing Subversion and the tools developers use with it. http://p.sf.net/sfu/wandisco-d2d-2 _______________________________________________ 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
