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Compare.py
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Example for how to iterate over residues/atoms and create a new representation: We draw a line between the identical atoms of two systems
system1 = getComposites()[0]
system2 = getComposites()[1]
rep = Representation()
for residue1 in residues(system1):
for residue2 in residues(system2):
if residue1.getID() == residue2.getID():
for atom1 in atoms(residue1):
for atom2 in atoms(residue2):
if atom1.getName() == atom2.getName():
line = Line();
line.setVertex1(atom1.getPosition())
line.setVertex2(atom2.getPosition())
line.setColor(ColorRGBA(0,0,1.0))
rep.insert(line)
break
break
getMainControl().insert(rep)
getMainControl().update(rep)
system2 = getComposites()[1]
rep = Representation()
for residue1 in residues(system1):
for residue2 in residues(system2):
if residue1.getID() == residue2.getID():
for atom1 in atoms(residue1):
for atom2 in atoms(residue2):
if atom1.getName() == atom2.getName():
line = Line();
line.setVertex1(atom1.getPosition())
line.setVertex2(atom2.getPosition())
line.setColor(ColorRGBA(0,0,1.0))
rep.insert(line)
break
break
getMainControl().insert(rep)
getMainControl().update(rep)
