Re: [PyMOL] pymol and interactive matplotlib plotting?

[Jason V. <jas...@sc...>]

Hi Bjoern,

I think you answered your own question.  I think you need to use plot
over draw.  How about:

import pymol
pymol.finish_launching()
import matplotlib
import pylab

pylab.ion()
pylab.figure()
pylab.ioff()
pylab.plot([1,2],[1,2])
pylab.show()

The above gives me a fully interactive PyMOL session and matplotlib window.

Cheers,

-- Jason


On Fri, Dec 17, 2010 at 7:46 PM, Bjoern Nadrowski
<bjr...@go...> wrote:
> Hello,
> What I would like to do is write a python script that simultaneously
> drives lammps (my molecular simulation program), puts lammps output to
> pymol, and plot some pylab plots.
>
> When I try this:
>
> import pymol
> pymol.finish_launching()
>
> import matplotlib
> import pylab
>
> pylab.ion()
> pylab.figure()
> pylab.ioff()
> pylab.draw([1,2],[1,2])
> raw_input()
>
> I do get my interactive pymol gui, but the pylab window is dead. It pops
> up, but no line is drawn. I suspect that has something to do with the
> gui handlers, so I would have to attach the pylab gui to the pymol one,
> I suspect. I just don't know how to do that.
>
> Nota bene:
> replacing the pylab lines with
> pylab.figure()
> pylab.plot([1,2],[1,2])
> pylab.show()
>
> works, but then the handler is with the pylab window, and no code after
> that can be executed any more.
> So you cannot update this window during execution time.
>
> Thanks for any help!
>
>
>
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-- 
Jason Vertrees, PhD
PyMOL Product Manager
Schrodinger, LLC

(e) Jas...@sc...
(o) +1 (603) 374-7120