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bis-aria
ariaec
Commits
082a3694
Commit
082a3694
authored
Mar 11, 2016
by
fabrice
Browse files
Def_upper_bound set to 5 A
parent
72674c8c
Changes
6
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ariaec/conf/aria_ec.ini
View file @
082a3694
...
...
@@ -53,7 +53,7 @@ groupby_method: min
; Parameters below used only when distance_type is set to "fixed"
restraint_distance:
2.5
lower_bound:
1.0
def_upper_bound:
4
.0
def_upper_bound:
5
.0
; Specific tresholds only for unambig restraints
ca_upper_bound:
7.0
cb_upper_bound:
7.0
...
...
ariaec/econverter.py
View file @
082a3694
...
...
@@ -485,7 +485,9 @@ class AriaEcXMLConverter(AriaXMLConverter):
:param scoremap: sorted list of contacts
:return:
"""
# Number of selected contacts
# Number of selected contact
# If there isn't enough contacts in input contact map after filtering
# step, change nb_c
nb_c
=
nb_c
if
nb_c
<
len
(
contactmap
.
contactset
())
else
len
(
contactmap
.
contactset
())
...
...
@@ -652,6 +654,7 @@ class AriaEcXMLConverter(AriaXMLConverter):
}
xml_file
=
self
.
settings
.
infra
[
"xml"
]
+
"/"
+
"_"
.
join
((
self
.
outprefix
,
listname
))
+
".xml"
logger
.
info
(
"Write %d xml distance restraints in %s"
%
(
nb_c
,
xml_file
))
self
.
write_dist_xml
(
restraint_dict
,
xml_file
)
return
xml_file
,
pair_list
...
...
ariaec/econverter.pyc
View file @
082a3694
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ariaec/protmap.py
View file @
082a3694
...
...
@@ -18,7 +18,7 @@ import pandas as pd
import
seaborn
as
sns
import
numpy
as
np
import
datetime
from
.ndconv
import
net_deconv
#
from .ndconv import net_deconv
from
matplotlib
import
pyplot
as
plt
import
aria.ConversionTable
as
ConversionTable
import
aria.legacy.AminoAcid
as
AminoAcid
...
...
@@ -70,8 +70,6 @@ class Map(pd.DataFrame):
self
.
sym
=
sym
self
.
desc
=
desc
def
sortedset
(
self
,
human_idx
=
False
):
# Remove duplicate in sort_list
n
=
1
if
human_idx
else
0
...
...
ariaec/protmap.pyc
View file @
082a3694
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version.py
View file @
082a3694
# Do not edit this file, pipeline versioning is governed by git tags
__version__
=
v0
.
1.8
-
dev2
\ No newline at end of file
__version__
=
v0
.
1.11
-
dev1
\ No newline at end of file
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