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# select all residues in proximity of less than maxdistance from selected atoms
maxdistance = 10
cl = []
for system1 in getSystems():
for atom1 in atoms(system1):
if not atom1.isSelected():
continue
for system in getSystems():
for residue in residues(system):
close=False
for atom2 in atoms(residue):
dist = (atom1.getPosition() - atom2.getPosition()).getLength()
if not atom2.isSelected() and dist < maxdistance:
close=True
break
if close:
cl.append(residue)
for system in getSystems():
system.deselect()
print "selected", len(cl), "residues"
for residue in cl:
for atom in atoms(residue):
if not atom.isSelected():
atom.select()
for sysem in getSystems():
getMainControl().update(system)
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