Unverified Commit 2fc77d89 authored by peastman's avatar peastman Committed by GitHub
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Merge pull request #2507 from el446/lipid

Lipid
parents 340bf28a 0e8108d5
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......@@ -1259,9 +1259,9 @@ class Modeller(object):
adds whole copies of the pre-equilibrated membrane patch, so the box dimensions will always be
integer multiples of the patch size. That may lead to a larger membrane than what you requested.
This method has built in support for POPC and POPE lipids. You can also build other types of
membranes by providing a pre-equilibrated, solvated membrane patch that can be tiled in the XY
plane to form the membrane.
This method has built in support for POPC, POPE, DLPC, DLPE, DMPC, DOPC and DPPC lipids.
You can also build other types of membranes by providing a pre-equilibrated, solvated membrane patch
that can be tiled in the XY plane to form the membrane.
Parameters
----------
......@@ -1289,7 +1289,7 @@ class Modeller(object):
"""
if 'topology' in dir(lipidType) and 'positions' in dir(lipidType):
patch = lipidType
elif lipidType.upper() in ('POPC', 'POPE'):
elif lipidType.upper() in ('POPC', 'POPE', 'DLPC', 'DLPE', 'DMPC', 'DOPC', 'DPPC'):
patch = PDBFile(os.path.join(os.path.dirname(__file__), 'data', lipidType.upper()+'.pdb'))
else:
raise ValueError('Unsupported lipid type: '+lipidType)
......
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