Re: [PyMOL] Reading Cell Dimensions from GROMACS XTC file

2020-07-14 Thread Thomas Holder
Hi Dan, Showing different cells for each state is currently not implemented, but I think it would not be too difficult to add support for that. I've opened a feature request ticket: https://github.com/schrodinger/pymol-open-source/issues/114 Cheers, Thomas > On Jul 13, 2020, at 4:20 PM,

[PyMOL] Reading Cell Dimensions from GROMACS XTC file

2020-07-13 Thread Daniel Kozuch
Hello, I would like to load a GROMACS xtc trajectory and visualize the (changing) cell size. My current workflow is: load sim.pdb load_traj sim.xtc, sim show cell This shows a cell/box but it is the wrong size and does not update every frame. Is there some way to load the proper cell