Commit 7ae8e13a authored by peastman's avatar peastman
Browse files

Fixed a bug caused by conflicting definitions of sum()

parent e5cc38cf
...@@ -38,7 +38,8 @@ from simtk.openmm.app.forcefield import HAngles, _createResidueSignature, _match ...@@ -38,7 +38,8 @@ from simtk.openmm.app.forcefield import HAngles, _createResidueSignature, _match
from simtk.openmm.app.topology import Residue from simtk.openmm.app.topology import Residue
from simtk.openmm.vec3 import Vec3 from simtk.openmm.vec3 import Vec3
from simtk.openmm import System, Context, NonbondedForce, VerletIntegrator, LocalEnergyMinimizer from simtk.openmm import System, Context, NonbondedForce, VerletIntegrator, LocalEnergyMinimizer
from simtk.unit import nanometer, molar, elementary_charge, amu, gram, liter, degree, sqrt, acos, is_quantity, dot, norm, sum from simtk.unit import nanometer, molar, elementary_charge, amu, gram, liter, degree, sqrt, acos, is_quantity, dot, norm
import simtk.unit as unit
import element as elem import element as elem
import os import os
import random import random
...@@ -914,7 +915,7 @@ class Modeller(object): ...@@ -914,7 +915,7 @@ class Modeller(object):
# and hope that energy minimization will fix it. # and hope that energy minimization will fix it.
knownPositions = [x for x in templateAtomPositions if x is not None] knownPositions = [x for x in templateAtomPositions if x is not None]
position = sum(knownPositions)/len(knownPositions) position = unit.sum(knownPositions)/len(knownPositions)
newPositions.append(position) newPositions.append(position)
for bond in self.topology.bonds(): for bond in self.topology.bonds():
if bond[0] in newAtoms and bond[1] in newAtoms: if bond[0] in newAtoms and bond[1] in newAtoms:
......
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