Thanks, I’ll give that a shot. Let’s see how well that extends into sessions.
From: Sampson, Jared M. [mailto:jms2...@cumc.columbia.edu]
Sent: Monday, March 07, 2016 1:26 PM
To: Schubert, Carsten [JRDUS]
Cc: pymol-users
Subject: Re: [PyMOL] How to store matrix settings for individual scenes?
Hi Carsten -
Could you wrap the `scene` function and include storing/recalling of the
matrices as well as the scenes? I just whipped together the following:
```
from pymol import stored
from pymol import cmd
stored.scene_matrices = {}
def scene_store(scn):
obj_matrices = {}
# only store matrices for enabled objects
for obj in cmd.get_names(enabled_only=1):
print 'storing matrix for %s' % obj
m = cmd.get_object_matrix(obj)
print m
obj_matrices[obj] = m
stored.scene_matrices[scn] = obj_matrices
cmd.scene(scn, 'store')
def scene_recall(scn):
obj_matrices = stored.scene_matrices[scn]
for obj in cmd.get_names():
# don't try to reset objects that aren't in the recalled scene
if obj in obj_matrices.keys():
cmd.matrix_reset(obj)
cmd.transform_selection(obj, obj_matrices[obj])
cmd.scene(scn, 'recall')
cmd.extend('scene_store', scene_store)
cmd.extend('scene_recall', scene_recall)
```
This works for me with, e.g.
```
fetch 1shv, async=0
fetch 3opl, async=0
scene_store F1
super 3opl, 1shv # changes the 3opl matrix
scene_store F2
scene_recall F1 # restores the original 3opl matrix
```
Not sure if that's closer to what you're looking for...hope it helps!
Cheers,
Jared
--
Jared Sampson
Columbia University
On Mar 7, 2016, at 12:35 PM, Schubert, Carsten [JRDUS]
<cschu...@its.jnj.com<mailto:cschu...@its.jnj.com>> wrote:
Yeah, but not my preferred choice. Tried to do this the elegant way, but
bumping up against Pymol’s limits unless Thomas has a workaround.
From: Sampson, Jared M. [mailto:jms2...@cumc.columbia.edu]
Sent: Monday, March 07, 2016 12:15 PM
To: Schubert, Carsten [JRDUS]
Cc: pymol-users@lists.sourceforge.net<mailto:pymol-users@lists.sourceforge.net>
Subject: Re: [PyMOL] How to store matrix settings for individual scenes?
Hi Carsten -
I'd probably create new objects and use those for superimposition, rather than
moving the originals. That would leave your scenes intact.
Cheers,
Jared
--
Jared Sampson
Columbia University
On Mar 7, 2016, at 12:10 PM, Schubert, Carsten [JRDUS]
<cschu...@its.jnj.com<mailto:cschu...@its.jnj.com>> wrote:
Hi,
I am trying to create a session file of a multimeric protein, in which each
monomer is displayed first using the original matrix settings broken out into
individual scenes. After that all monomers are overlayed on top of each other
and the superposition matrices are copied and applied to the ligands, etc. So
far so good, however once the matrices are applied this also affects the
matrices for the scenes created previous to the overlay and matrix_copy. Any
way I can store the matrices in each scene instead of having them applied
globally once?
Cheers,
Carsten
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