Re: [PyMOL] Multiple PyMOL Instances in Python Script

2018-04-25 Thread Thomas Holder
> On Apr 24, 2018, at 7:17 PM, Yang Su wrote: > > OK, thanks. If you don't mind, I can add it to the wiki: > https://pymolwiki.org/index.php/Launching_From_a_Script Sure, that would be great. Thanks a lot! Cheers, Thomas -- Thomas Holder PyMOL Principal Developer

Re: [PyMOL] Multiple PyMOL Instances in Python Script

2018-04-24 Thread Thomas Holder
Hi Yang, Very good questions. I don't think that it's documented anywhere. Reference counting is maintained, I fixed that up as best as I could before the PyMOL 2.0 release (in PyMOL 1.x it leaks references). Looks like there is no way to introspect whether start() has been called already.

Re: [PyMOL] Multiple PyMOL Instances in Python Script

2018-04-24 Thread Yang Su
Thanks Thomas. The code snippet works. Does start(), stop() maintain reference counting? Is there a way to know if it's already started/stopped? Is this API documented somewhere? Thanks, Yang On Mon, Apr 23, 2018 at 1:15 PM, Thomas Holder < thomas.hol...@schrodinger.com> wrote: > Hi Yang, > >

Re: [PyMOL] Multiple PyMOL Instances in Python Script

2018-04-23 Thread Thomas Holder
Hi Yang, Yes it's possible to have independent instances. The API has actually been around for a long time. For some reason it was never widely adopted and thus is not very thoroughly tested. Please report any bugs you encounter. Example: import pymol2 p = pymol2.PyMOL() p.start()

[PyMOL] Multiple PyMOL Instances in Python Script

2018-04-19 Thread Yang Su
Hi, Is it possible to start multiple independent pymol backend processes in a python script/jupyter notebook? Now with PyMOL 2.1 I can 'import pymol' and call a pymol.cmd function to start a backend process, but this is kind of 'global'. I'm looking for a way to manage multiple PyMOL sessions in