jean-marc vuissoz wrote: > I would like to do a selection of many atoms ( 45-46, 110-112, 147-149), > but I don't manage to do it, how should I dot it ? > best tanks > > jean-marc > > # select_loop_atoms (necessary) > class myloop(loopmodel): > # This routine picks the residues to be refined by loop modeling > def select_loop_atoms(self): > # 4 residue insertion (1st loop) > self.pick_atoms(selection_segment=('147:', '149:'), > selection_status='INITIALIZE')
Below is one way: self.pick_atoms(selection_segment=('147:', '149:'), selection_status='INITIALIZE') self.pick_atoms(selection_segment=('45:', '46:'), selection_status='ADD') self.pick_atoms(selection_segment=('110:', '112:'), selection_status='ADD')
As should be obvious from the example, selection_status needs to be 'INITIALIZE' on the first call, and 'ADD' on any subsequent calls (it could also be 'REMOVE' to remove those atoms from the selection). See http://salilab.org/modeller/manual/node131.html
Ben Webb, Modeller Caretaker