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Commit 4cb6f2b3 authored by pascal's avatar pascal
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restore to new property-nomenclature

git-svn-id: https://dng.biozentrum.unibas.ch/svn/openstructure/trunk@2117 5a81b35b-ba03-0410-adc8-b2c5c5119f08
parent f78195d1
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...@@ -137,22 +137,22 @@ def LoadDSSP(file_name, model, extract_burial_status_flag=0, ...@@ -137,22 +137,22 @@ def LoadDSSP(file_name, model, extract_burial_status_flag=0,
# set property "burial status: # set property "burial status:
if extract_burial_status_flag == 1: if extract_burial_status_flag == 1:
#set default (dummy) burial status for incomplete residues: #set default (dummy) burial status for incomplete residues:
residue.SetGenericStringProperty("burial_status", 'X') residue.SetStringProp("burial_status", 'X')
#handle seleno-methionine appearing as amino acid 'X' in DSSP: #handle seleno-methionine appearing as amino acid 'X' in DSSP:
if residue.name=="MSE" and amino_acid=='X': if residue.name=="MSE" and amino_acid=='X':
amino_acid='M' amino_acid='M'
residue.SetGenericFloatProperty("solvent_accessibility", residue.SetFloatProp("solvent_accessibility",
solvent_accessibility) solvent_accessibility)
if calculate_relative_sa: if calculate_relative_sa:
relative_sa=_CalcRelativeSA(amino_acid,solvent_accessibility) relative_sa=_CalcRelativeSA(amino_acid,solvent_accessibility)
residue.SetGenericFloatProperty("relative_solvent_accessibility", residue.SetFloatProp("relative_solvent_accessibility",
relative_sa) relative_sa)
if relative_sa < 0.25: if relative_sa < 0.25:
residue.SetGenericStringProperty("burial_status", 'b') residue.SetStringProp("burial_status", 'b')
else: else:
residue.SetGenericStringProperty("burial_status", 'e') residue.SetStringProp("burial_status", 'e')
except Exception, e: except Exception, e:
print "ERROR:",e print "ERROR:",e
continue continue
......
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