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tsoc
openmm
Commits
19d92e1d
Commit
19d92e1d
authored
Apr 09, 2012
by
Peter Eastman
Browse files
Tweaked the alignment of the atom name in PDB files
parent
bc6e8fa9
Changes
1
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wrappers/python/simtk/openmm/app/pdbfile.py
wrappers/python/simtk/openmm/app/pdbfile.py
+1
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wrappers/python/simtk/openmm/app/pdbfile.py
View file @
19d92e1d
...
@@ -253,7 +253,7 @@ class PDBFile(object):
...
@@ -253,7 +253,7 @@ class PDBFile(object):
else
:
else
:
resName
=
res
.
name
resName
=
res
.
name
for
atom
in
res
.
atoms
():
for
atom
in
res
.
atoms
():
if
len
(
atom
.
name
)
<
4
:
if
len
(
atom
.
name
)
<
4
and
atom
.
name
[:
1
].
isalpha
()
and
(
atom
.
element
is
None
or
len
(
atom
.
element
.
symbol
)
<
2
)
:
atomName
=
' '
+
atom
.
name
atomName
=
' '
+
atom
.
name
elif
len
(
atom
.
name
)
>
4
:
elif
len
(
atom
.
name
)
>
4
:
atomName
=
atom
.
name
[:
4
]
atomName
=
atom
.
name
[:
4
]
...
...
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