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Revision as of 09:35, 5 November 2009 by EzequielPanepucci (talk | contribs) (Modified script to format output according to max length of matched settings.)
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Use this little script to explore PyMOL's myriad settings.

Usefull for newbies and those with not so good memory skills...

To use:

  1. put the script in a file called
  2. from within PyMOL execute run
  3. try it out, see examples below.

Example 1: grepset light

cartoon_highlight_color        default
dot_lighting                   on
light                          [ -0.40000, -0.40000, -1.00000 ]
mesh_lighting                  off
two_sided_lighting             off
5 settings matched

Example 2: grepset trans

cartoon_transparency           0.00000
ray_transparency_contrast      1.00000
ray_transparency_shadows       1
ray_transparency_spec_cut      0.90000
ray_transparency_specular      0.40000
sphere_transparency            0.00000
stick_transparency             0.00000
transparency                   0.00000
transparency_mode              2
transparency_picking_mode      2
10 settings matched

Example 3: grepset ^trans

transparency                   0.00000
transparency_mode              2
transparency_picking_mode      2
3 settings matched

The Script itself:

from pymol import cmd
import re
import pymol.setting

def grepset(regexp=''):
    "grepset" greps through the list of settings using a python
    regular expression as defined in the 're' module.
    It returns a list of settings/values matching the regexp.
    No regexp returns every setting.

    grepset [regexp]

    grepset line
    grepset ray
    grepset (^line|color$)

	Python re module

    count = 0
    regexp = re.compile(regexp)
    matches = []
    for a in pymol.setting.get_index_list():
        setting = pymol.setting._get_name(a)
            count += 1
            matches.append( (setting, cmd.get_setting_text(a, '', -1)) )
    # max length of the setting names that matched
    maxlen = max([len(s[0]) for s in matches])
    fmt = "%%-%ds : %%s" % (maxlen,)
    for setting in matches:
        print fmt % setting
    print '%d settings matched' % (count,)
    cmd.set('text', 1)
cmd.extend('grepset', grepset)

Author: Ezequiel (Zac) Panepucci