Commit 082a3694 authored by fabrice's avatar fabrice
Browse files

Def_upper_bound set to 5 A

parent 72674c8c
......@@ -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
......
......@@ -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
......
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......@@ -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
......
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# 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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