Commit 6d9bef03 authored by peastman's avatar peastman
Browse files

Fixed error in determining protein size when building membrane

parent 424c06e4
......@@ -6,7 +6,7 @@ Simbios, the NIH National Center for Physics-Based Simulation of
Biological Structures at Stanford, funded under the NIH Roadmap for
Medical Research, grant U54 GM072970. See https://simtk.org.
Portions copyright (c) 2012-2017 Stanford University and the Authors.
Portions copyright (c) 2012-2018 Stanford University and the Authors.
Authors: Peter Eastman
Contributors:
......@@ -1192,8 +1192,8 @@ class Modeller(object):
# Figure out how many copies of the membrane patch we need in each direction.
proteinPos = self.positions.value_in_unit(nanometer)
proteinMinPos = min(proteinPos)
proteinMaxPos = max(proteinPos)
proteinMinPos = Vec3(*[min((p[i] for p in proteinPos)) for i in range(3)])
proteinMaxPos = Vec3(*[max((p[i] for p in proteinPos)) for i in range(3)])
proteinSize = proteinMaxPos-proteinMinPos
proteinCenterPos = (proteinMinPos+proteinMaxPos)/2
proteinCenterPos = Vec3(proteinCenterPos[0], proteinCenterPos[1], membraneCenterZ)
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment