[PyMOL] label wizard

[Ezequiel P. <za...@SL...>]

Hello people,

This is a labeling wizard. It allows you to click
atoms and have a label show up near the atom position.

If the atom is a C-alpha the label is slighly
different. More info is shown in the "prompt" area.

To use it, put the attached file in
	..../pymol/modules/pymol/wizard/label.py

and from within pymol type "wizard label"

Comments?

Have fun,
	Zac

########################
#### file: label.py
########################
#
# Author: Ezequiel Panepucci
# Last revision: 2001-11-14
#
from pymol.wizard import Wizard
from pymol import cmd
import pymol

class Label(Wizard):

   atom=None
   messages=1
   labeling=1
   obj_name=None

   def get_prompt(self):
      self.prompt = []
      if (not self.messages):
         return ['']

      if (self.atom == None):
         self.prompt = ['Click atoms...']
      else:
         if self.atom.chain == '':
            self.prompt.append( '%s %s %s %s B = %.2f  XYZ = %.3f %.3f %.3f' %
                            (self.obj_name,
                             self.atom.resn,
                             self.atom.resi,
                             self.atom.name,
                             self.atom.b,
                             self.atom.coord[0],
                             self.atom.coord[1],
                             self.atom.coord[2]) )
         else:
            self.prompt.append('%s %s %s%s %s B = %.2f  XYZ = %.3f %.3f %.3f' %
                            (self.obj_name,
                             self.atom.resn,
                             self.atom.chain,
                             self.atom.resi,
                             self.atom.name,
                             self.atom.b,
                             self.atom.coord[0],
                             self.atom.coord[1],
                             self.atom.coord[2]) )

      return self.prompt

   def toggle_messages(self):
      self.messages = not self.messages

   def toggle_labeling(self):
      self.labeling = not self.labeling

   def get_panel(self):
      return [
         [ 1, 'Labeling',''],
         [ 2, 'Toggle add/erase','cmd.get_wizard().toggle_labeling()'],
         [ 2, 'Toggle messages','cmd.get_wizard().toggle_messages()'],
         [ 2, 'Clear All','cmd.label()'],
         [ 2, 'Done','cmd.set_wizard()'],
         ]

   def do_pick(self,bondFlag):
      self.obj_name = None

#      if 'pk1' in cmd.get_names('selections'):
      if cmd.count_atoms('pk1',1):
         self.obj_name = cmd.identify('pk1',1)[0][0]

      model = cmd.get_model("(pk1)")
      self.atom = model.atom.pop()
      if not self.labeling:
         cmd.label("(pk1)", '""')
      elif self.atom.name == 'CA':
         cmd.label("(pk1)", '" %s %s" % (resn,resi)')
      else:
         cmd.label("(pk1)", '" %s %s" % (name,resi)')
      cmd.unpick()
      cmd.refresh_wizard()