Uses the Modeller software to predict missing loops in a Molecule.
mol (Molecule
object) – A Molecule object.
segid (str) – The name of the segment containing the gap.
seq (str) – The sequence of residues to be added by the loop modeller.
startresid (int) – The resid of the residue before the gap.
movstart (int) – The resid after which the residues will be allowed to move in modeller.
movend (int) – The resid before which the residues will be allowed to move in modeller.
modellerexe (str) – The path to the modeller executable.
newmol – A new Molecule object containing the protein with the modelled loop.
Molecule
object
Examples
>>> mol = Molecule('1qg8')
>>> mol2 = loopModeller(mol, '0', 'ENR', 133)