[PyMOL] `selection` argument in load_traj

2019-06-27 Thread brisvag
Hi Thomas,

I see! Is it supposed to work with other formats too? Or at least, is
it planned to be expanded? I'm trying to switch to PyMOL to view
GROMACS `.xtc` trajectories, and this feature would be a great
addition.

Cheers,
Lorenzo


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Re: [PyMOL] `selection` argument in load_traj

2019-06-26 Thread Thomas Holder
Hi Lorenzo,

You are correct, it's doing nothing for most trajectory formats. Only the 
implementation for AMBER .trj files uses it. It looks like it allows selecting 
a subset of atoms.

Cheers,
  Thomas

> On Jun 25, 2019, at 4:05 PM, Lorenzo Gaifas  wrote:
> 
> Dear pymol users,
> 
> What is the purpose of the `selection` argument in the `load_traj` command?
> 
> My intuition would say that it allows to somehow select which atoms to load 
> into pymol before the actual loading happens. However, it seems to do nothing 
> whatsoever. What am I missing?
> 
> Thanks,
> Lorenzo
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Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.



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