''' Described at: http://www.pymolwiki.org/index.php/resicolor_plugin plugin contributed by Philippe Garteiser garteiserp@omrf.org ''' from pymol import cmd import sys if sys.version_info[0] < 3: import tkSimpleDialog else: from tkinter import simpledialog as tkSimpleDialog def __init__(self): # Simply add the menu entry and callback self.menuBar.addmenuitem('Plugin', 'command', 'resicolor', label='resicolor', command=lambda s=self: getselection(s)) def resicolor(selection): if selection: # None is returned for user cancel cmd.select('calcium', 'resn ca or resn cal') cmd.select('acid', 'resn asp or resn glu or resn cgu') cmd.select('basic', 'resn arg or resn lys or resn his') cmd.select('nonpolar', 'resn met or resn phe or resn pro or resn trp or resn val or resn leu or resn ile or resn ala') cmd.select('polar', 'resn ser or resn thr or resn asn or resn gln or resn tyr') cmd.select('cys', 'resn cys or resn cyx') cmd.select('backbone', 'name ca or name n or name c or name o') cmd.select('none') code = {'acid': 'red', 'basic': 'blue', 'nonpolar': 'orange', 'polar': 'green', 'cys': 'yellow'} cmd.select('none') for elem in code: line = 'color ' + code[elem] + ',' + elem + '&' + selection print(line) cmd.do(line) word = 'color white,backbone &' + selection print(word) cmd.do(word) def getselection(app): selection = tkSimpleDialog.askstring('resicolor', 'Please enter a selection', parent=app.root) resicolor(selection)