Re: [PyMOL] Performance of extended commands vs python function

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

Hi Lorenzo,

When you say "run from a python script", is that with the graphical GUI? That "instant update", does that include instant update of visual representations?

Thanks,
  Thomas


> On Dec 13, 2019, at 12:55 PM, Lorenzo Gaifas <br...@gm...> wrote:
> 
> Dear Pymol users,
> 
> I just discovered something I did not expect: the same python function can have extremely different performance when called as a python function or using the pymol api.
> 
> To be more specific: I have a function func that (among other things) uses cmd.alter several times over a big system to change the properties and representation.
> 
> If I run it calling func() from a python script, its effects are almost instant. If I call it with cmd.do('func') (or directly from within pymol with func), it’s extremely slow (up to 10 seconds) and Pymol freezes completely during this time.
> 
> I expected this to be due to an overhead of the api itself, but when I do the same thing with a simpler function, I see no noticeable difference.
> 
> Why exactly is this happening? And more importantly, how can I get the performance of func even when I call it from within pymol?
> 
> Thank you,
> Lorenzo
> 
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--
Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.