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bis-aria
ariaec
Commits
470859bb
Commit
470859bb
authored
Jul 05, 2017
by
Fabrice ALLAIN
Browse files
Preparing for aria integration
parent
475afb9e
Changes
3
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.gitignore
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470859bb
...
...
@@ -9,4 +9,4 @@ ariaec.egg-info/
docs/_static/
docs/_templates/
.svn/
examples
*
examples
-dev
ariaec/converter.py
View file @
470859bb
...
...
@@ -629,7 +629,7 @@ assign (resid {res1} and name n) (resid {res1} and name ca) (resid {res1} and na
class
AriaEcXMLConverter
(
AriaXMLConverter
):
"""XML converter ariaec to aria"""
# TODO: use aria api instead to generate xml files
def
__init__
(
self
,
*
args
,
**
kwargs
):
self
.
restraint_list
=
[]
super
(
AriaEcXMLConverter
,
self
).
__init__
(
*
args
,
**
kwargs
)
...
...
ariaec/reader.py
View file @
470859bb
...
...
@@ -16,6 +16,7 @@ from .protmap import (ResMap, ResAtmMap)
LOG
=
logging
.
getLogger
(
__name__
)
# TODO: check if Atom is still used ...
# TODO: Should use conkit in the future
Atom
=
collections
.
namedtuple
(
"Atom"
,
[
"name"
,
"coords"
])
...
...
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