[PyMOL] Re:Pymol and batch-queue jobs

[Bhyravbhatla, B. <Bal...@um...>]

Hi,
We have a cluster that I would like to use for making images and have
PBS running on there. Can you please share details about how you have
set it up?
Do you have pymol on all nodes? Is it parallelized or each frame (of the
movie) is rendered on individual nodes?

Thanks for any guidance.

Balaji

>=20
>    1. Re: Pymol and batch-queue jobs (Marc Saric)
>=20
> --__--__--
>=20
> Message: 1
> Date: Tue, 24 Aug 2004 09:02:14 +0200
> From: Marc Saric <mar...@gm...>
> To: Jason Thomas Maynes <ja...@bi...>,
>  pym...@li...
> Subject: Re: [PyMOL] Pymol and batch-queue jobs
>=20
> -----BEGIN PGP SIGNED MESSAGE-----
> Hash: SHA1
>=20
> Hi Jason,
>=20
> I have reposted your reply to the list, hope you don't mind.
>=20
> Jason Thomas Maynes wrote:
>=20
> | Hello:
> |
> | I run movie rendering through PBS but it's nothing fancy.
> | Essentially I have a perl script that takes a pymol movie script as
> | an argument and then sends customized (ie. render frames 40-50 etc)
> | pymol scripts as jobs to the queue.  Since pymol can't take a
command
> | line argument for what frames to render, I couldn't see a away
around
> | having customized scripts for each job.
>=20
> So an applet, which modifies a render-script on the fly (probably as a
> plugin ("remote-rendering" or something) from within Python might be
> usefull??
>=20
> I guess, this would be the way people do it -either interactively
> defining a script (probably with manual splitting/parameter-setting
for
> the job, or automatically if possible), which gets sent to a
> batch-queueing-system from a Tk-GUI or offline (save script for later
> execution).
>=20
>=20