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pdbfixer
Commits
68e6c01f
Commit
68e6c01f
authored
May 14, 2014
by
Kyle Beauchamp
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Remove extra print statements.
parent
9b51d5ba
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pdbfixer/pdbfixer.py
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pdbfixer/pdbfixer.py
View file @
68e6c01f
...
@@ -611,17 +611,13 @@ class PDBFixer(object):
...
@@ -611,17 +611,13 @@ class PDBFixer(object):
for
residue
,
replaceWith
in
residue_map
:
for
residue
,
replaceWith
in
residue_map
:
residue
.
name
=
replaceWith
residue
.
name
=
replaceWith
print
(
residue
)
print
(
replaceWith
)
template
=
self
.
templates
[
replaceWith
]
template
=
self
.
templates
[
replaceWith
]
print
(
template
)
standardAtoms
=
set
(
atom
.
name
for
atom
in
template
.
topology
.
atoms
())
standardAtoms
=
set
(
atom
.
name
for
atom
in
template
.
topology
.
atoms
())
for
atom
in
residue
.
atoms
():
for
atom
in
residue
.
atoms
():
if
atom
.
element
in
(
None
,
hydrogen
)
or
atom
.
name
not
in
standardAtoms
:
if
atom
.
element
in
(
None
,
hydrogen
)
or
atom
.
name
not
in
standardAtoms
:
deleteAtoms
.
append
(
atom
)
deleteAtoms
.
append
(
atom
)
# Delete them.
# Delete them.
print
(
deleteAtoms
)
modeller
=
app
.
Modeller
(
self
.
topology
,
self
.
positions
)
modeller
=
app
.
Modeller
(
self
.
topology
,
self
.
positions
)
modeller
.
delete
(
deleteAtoms
)
modeller
.
delete
(
deleteAtoms
)
self
.
topology
=
modeller
.
topology
self
.
topology
=
modeller
.
topology
...
...
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