Def_upper_bound set to 5 A

ariaec/conf/aria_ec.ini

@@ -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

@@ -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/protmap.py

@@ -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

version.py

 # 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