Commit 6c59d383 by peastman

Support all lipid types from OpenMM 7.5

parent fe4e73b6
...@@ -159,6 +159,11 @@ Add a water box or membrane surrounding the model? ...@@ -159,6 +159,11 @@ Add a water box or membrane surrounding the model?
<select id="lipidType" name="lipidType"> <select id="lipidType" name="lipidType">
<option value="POPC" selected="selected">POPC</option> <option value="POPC" selected="selected">POPC</option>
<option value="POPE">POPE</option> <option value="POPE">POPE</option>
<option value="DLPC">DLPC</option>
<option value="DLPE">DLPE</option>
<option value="DMPC">DMPC</option>
<option value="DOPC">DOPC</option>
<option value="DPPC">DPPC</option>
</select> </select>
<p> <p>
Minimum padding around protein: <input type="text" id="membranePadding" name="membranePadding" value="1.0" size="5"> (nm) Minimum padding around protein: <input type="text" id="membranePadding" name="membranePadding" value="1.0" size="5"> (nm)
......
...@@ -6,7 +6,7 @@ Simbios, the NIH National Center for Physics-Based Simulation of ...@@ -6,7 +6,7 @@ Simbios, the NIH National Center for Physics-Based Simulation of
Biological Structures at Stanford, funded under the NIH Roadmap for Biological Structures at Stanford, funded under the NIH Roadmap for
Medical Research, grant U54 GM072970. See https://simtk.org. Medical Research, grant U54 GM072970. See https://simtk.org.
Portions copyright (c) 2013-2015 Stanford University and the Authors. Portions copyright (c) 2013-2020 Stanford University and the Authors.
Authors: Peter Eastman Authors: Peter Eastman
Contributors: Contributors:
...@@ -30,7 +30,7 @@ USE OR OTHER DEALINGS IN THE SOFTWARE. ...@@ -30,7 +30,7 @@ USE OR OTHER DEALINGS IN THE SOFTWARE.
""" """
from __future__ import absolute_import from __future__ import absolute_import
__author__ = "Peter Eastman" __author__ = "Peter Eastman"
__version__ = "1.6" __version__ = "1.7"
import simtk.openmm as mm import simtk.openmm as mm
import simtk.openmm.app as app import simtk.openmm.app as app
...@@ -1098,7 +1098,7 @@ class PDBFixer(object): ...@@ -1098,7 +1098,7 @@ class PDBFixer(object):
Parameters Parameters
---------- ----------
lipidType : string='POPC' lipidType : string='POPC'
the type of lipid to use. Supported values are 'POPC' and 'POPE'. the type of lipid to use. Supported values are 'POPC', 'POPE', 'DLPC', 'DLPE', 'DMPC', 'DOPC', and 'DPPC'.
membraneCenterZ: distance=0*nanometer membraneCenterZ: distance=0*nanometer
the position along the Z axis of the center of the membrane the position along the Z axis of the center of the membrane
minimumPadding : distance=1*nanometer minimumPadding : distance=1*nanometer
......
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