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Sourcecode: pymol version File versions

label.py

# This wizard contributed by Ezequiel "Zac" Panepucci 011114
# modified by Warren L. DeLano

from pymol.wizard import Wizard
from pymol import cmd
import pymol

class Label(Wizard):

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

   def __init__(self):

      cmd.unpick()
      
      Wizard.__init__(self)
      
   def get_prompt(self):
      self.prompt = []
      if (not self.messages):
         return None

      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()



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