Re: [PyMOL] can we clone representation?

2015-11-22 Thread Thomas Holder
Hi Albert,

This functionality is not built-in to PyMOL, but is rather simple to implement 
with a script. See attachment. The script adds a "clone_reps" command which 
takes two selections (just like the VMD plugin).

Example:

run clonerep.py
fetch 1a00 1hbb, async=0
as cartoon, 1a00
spectrum count, rainbow, 1a00

# clone color and representations
clone_reps 1a00, 1hbb

# clone only color
clone_reps 1a00, 1hbb, props=color

# clone from chain A to all other chains
clone_reps 1a00 & chain A, all, match=resi name

Cheers,
  Thomas

from pymol import cmd
@cmd.extend
def clone_reps(fromsele, tosele, match='chain resi name', props='reps color'):
'''
DESCRIPTION

Clone color and representation from one selection to another.

ARGUMENTS

fromsele = str: source selection

tosele = str: target selection

match = str: space separated list of atom identifiers to use for
matching the two selections {default: chain resi name}

props = str: space separated list of atom properties to clone
{default: reps color}

EXAMPLE

fetch 1a00 1hbb, async=0
as cartoon, 1a00
spectrum count, rainbow, 1a00
clone_reps 1a00, 1hbb

SEE ALSO

scene, iterate, alter
'''
match = '(' + ','.join(match.split()) + ')'
props = '(' + ','.join(props.split()) + ')'
space = {'_lookup': {}}
cmd.iterate(fromsele, '_lookup[' + match + '] = ' + props, space=space)
cmd.alter(tosele, props + ' = _lookup.get(' + match + ', ' + props + ')', space=space)
cmd.rebuild(tosele)

On 21 Nov 2015, at 10:04, Albert  wrote:

> Hello:
> 
> I've shown an object as cartoon and displaced sticks with various 
> colors. I am just wondering, can we clone all representation from object 
> 1 to object 2 with some command in Pymol? As far as I known, this is 
> possible in VMD:
> 
> http://www.ks.uiuc.edu/Research/vmd/plugins/clonerep/
> 
> Thank you very much
> 
> Albert

-- 
Thomas Holder
PyMOL Principal Developer
Schrödinger, Inc.

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[PyMOL] can we clone representation?

2015-11-21 Thread Albert
Hello:

I've shown an object as cartoon and displaced sticks with various 
colors. I am just wondering, can we clone all representation from object 
1 to object 2 with some command in Pymol? As far as I known, this is 
possible in VMD:

http://www.ks.uiuc.edu/Research/vmd/plugins/clonerep/

Thank you very much

Albert

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