Hi Benjamin, if you compile PyMOL with the VMD plugin enabled (simply adjust the setup.py file) it will read xtc and other gromacs file formats.
load start.pdb load traj.xtc, start will load all frames of the trajectory into the start object. Cheers, Daniel > Hi > > I've written an XTC (gromacs trajectory) reader in python, and I'm > interested in using it to load xtc files in pymol. The file itself > doesn't contain any atom/residue name information, just a list of > coordinates compressed using a novel compression algorithm. How could > I manually add a state to a model, replicate the metadata from the > first state, then add the coordinate information from a frame? I > couldn't see how to do this from the wiki > > Many thanks in advance > > Ben > > > ************************************************************************ > Benjamin A. Hall > Structural Bioinformatics & Computational Biochemistry Unit > University of Oxford > http://sbcb.bioch.ox.ac.uk/hall.php > +44 (0)1865 275380 > benjamin.h...@bioch.ox.ac.uk > > > > > > ------------------------------------------------------------------------- > This SF.net email is sponsored by the 2008 JavaOne(SM) Conference > Don't miss this year's exciting event. There's still time to save $100. > Use priority code J8TL2D2. > http://ad.doubleclick.net/clk;198757673;13503038;p?http://java.sun.com/javaone > _______________________________________________ > PyMOL-users mailing list > PyMOL-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/pymol-users > Dr. Daniel Seeliger Computational Biomolecular Dynamics Group MPI for Biophysical Chemistry Göttingen, Germany
