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

[Thomas H. <tho...@sc...>]

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, Daniel Kozuch <dk...@pr...> wrote:
> 
> 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 dimensions?
> 
> Best regards,
> Dan Kozuch
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--
Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.