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tsoc
openmm
Commits
0c1cbb48
Commit
0c1cbb48
authored
Apr 15, 2014
by
Jason Swails
Browse files
Correct some docstrings to reflect the updated API.
parent
8bb898d2
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wrappers/python/simtk/openmm/app/charmmpsffile.py
wrappers/python/simtk/openmm/app/charmmpsffile.py
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wrappers/python/simtk/openmm/app/charmmpsffile.py
View file @
0c1cbb48
...
@@ -52,8 +52,7 @@ def _catchindexerror(func):
...
@@ -52,8 +52,7 @@ def _catchindexerror(func):
class
CharmmPsfFile
(
object
):
class
CharmmPsfFile
(
object
):
"""
"""
A chemical structure instantiated from CHARMM files. You can instantiate a
A chemical structure instantiated from CHARMM files.
CharmmPsfFile from a PSF file using the load_from_psf constructor
Example:
Example:
>>> cs = CharmmPsfFile("testfiles/test.psf")
>>> cs = CharmmPsfFile("testfiles/test.psf")
...
@@ -400,7 +399,7 @@ class CharmmPsfFile(object):
...
@@ -400,7 +399,7 @@ class CharmmPsfFile(object):
- vmd (bool) : If True, it will write out a PSF in the format that
- vmd (bool) : If True, it will write out a PSF in the format that
VMD prints it in (i.e., no NUMLP/NUMLPH or MOLNT sections)
VMD prints it in (i.e., no NUMLP/NUMLPH or MOLNT sections)
Example:
Example:
>>> cs = CharmmPsfFile
.load_from_psf
('testfiles/test.psf')
>>> cs = CharmmPsfFile('testfiles/test.psf')
>>> cs.write_psf('testfiles/test2.psf')
>>> cs.write_psf('testfiles/test2.psf')
"""
"""
# See if this is an extended format
# See if this is an extended format
...
...
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