SelectClipped: Difference between revisions
		
		
		
		
		
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|  (Created page with "This script selects those atoms that are == The Code == <source lang="python"> from pymol import cmd  def clipped_by(at,v):    x,y,z = at.coord    nz = v[2]*(x-v[12])+v[5]*(y-v[1...") |  (select_clipped command) | ||
| Line 1: | Line 1: | ||
| This script selects those atoms that are | This script selects those atoms that are between the near and far [[clip|clipping plane]]. | ||
| == Usage == | |||
|  select_clipped [name [, selection [, state]]] | |||
| == The Code == | == The Code == | ||
| <source lang="python"> | <source lang="python"> | ||
| Line 12: | Line 17: | ||
|     v = cmd.get_view() |     v = cmd.get_view() | ||
|     return [ i.id for i in cmd.get_model(selection,state).atom if clipped_by(i,v) ] |     return [ i.id for i in cmd.get_model(selection,state).atom if clipped_by(i,v) ] | ||
| def select_clipped(name='clipped', selection='all', state=1): | |||
|     ''' | |||
| DESCRIPTION | |||
|     Select atoms between clipping planes | |||
| USAGE | |||
|     select_clipped [name [, selection [, state]]] | |||
|     ''' | |||
|     state = int(state) | |||
|     cmd.select(name, 'none') | |||
|     for model in cmd.get_object_list('(' + selection + ')'): | |||
|         cmd.select_list('__tmp', model, clipped('(%s) and (%s)' % (model, selection), state)) | |||
|         cmd.select(name, '__tmp', merge=1) | |||
|     cmd.delete('__tmp') | |||
| cmd.extend('select_clipped', select_clipped) | |||
| </source> | </source> | ||
| To use this script save it to "clipped.py".  Then load the script from PyMOL ("run clipped.py"). | To use this script save it to "clipped.py".  Then load the script from PyMOL ("run clipped.py"). | ||
| == Example == | |||
| <source lang="python"> | <source lang="python"> | ||
| # for example, fetch 1cll | # for example, fetch 1cll | ||
| Line 37: | Line 59: | ||
| # run the script | # run the script | ||
| select_clipped 1cllClipped, 1cll | |||
| # setup the view | # setup the view | ||
Latest revision as of 11:21, 30 August 2011
This script selects those atoms that are between the near and far clipping plane.
Usage
select_clipped [name [, selection [, state]]]
The Code
from pymol import cmd
def clipped_by(at,v):
   x,y,z = at.coord
   nz = v[2]*(x-v[12])+v[5]*(y-v[13])+v[8]*(z-v[14])-v[11]
   return nz > v[15] and nz < v[16]
def clipped(selection="all",state=1):
   v = cmd.get_view()
   return [ i.id for i in cmd.get_model(selection,state).atom if clipped_by(i,v) ]
def select_clipped(name='clipped', selection='all', state=1):
    '''
DESCRIPTION
    Select atoms between clipping planes
USAGE
    select_clipped [name [, selection [, state]]]
    '''
    state = int(state)
    cmd.select(name, 'none')
    for model in cmd.get_object_list('(' + selection + ')'):
        cmd.select_list('__tmp', model, clipped('(%s) and (%s)' % (model, selection), state))
        cmd.select(name, '__tmp', merge=1)
    cmd.delete('__tmp')
cmd.extend('select_clipped', select_clipped)
To use this script save it to "clipped.py". Then load the script from PyMOL ("run clipped.py").
Example
# for example, fetch 1cll
fetch 1cll, async=0
# orient it to clip out some data
set_view (\
    -0.555155039,    0.671998382,    0.490123481,\
     0.050991829,    0.615659416,   -0.786360741,\
    -0.830182374,   -0.411559790,   -0.376052886,\
     0.000000000,    0.000000000, -188.930786133,\
    13.649702072,   25.646595001,   12.279129982,\
   172.813293457,  205.048278809,  -20.000000000 )
# run the script
select_clipped 1cllClipped, 1cll
# setup the view
orient
# remove the surface flag on these atoms
flag exfoliate, 1cllClipped
# show everything as sticks
show sticks
# show those atoms not exfoliated as surface
show surface