Re: [PyMOL] Adding new states from data

2008-05-01 Thread DeLano Scientific
gt; -Original Message- > From: pymol-users-boun...@lists.sourceforge.net > [mailto:pymol-users-boun...@lists.sourceforge.net] On Behalf > Of Benjamin Hall > Sent: Thursday, May 01, 2008 3:07 AM > To: pymol-users@lists.sourceforge.net > Subject: [PyMOL] Adding new states from data >

Re: [PyMOL] Adding new states from data

2008-05-01 Thread dseelig
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 (groma

[PyMOL] Adding new states from data

2008-05-01 Thread Benjamin Hall
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