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