Apply substitutions to added residues

2abbcf49 · Peter Eastman · aac559c1 · 2abbcf49
Commit 2abbcf49 authored Sep 09, 2013 by Peter Eastman
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pdbfixer.py
+4 -1

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--- a/pdbfixer.py
+++ b/pdbfixer.py
@@ -320,7 +320,10 @@ class PDBFixer(object):
                        key = (topChain.index, index)
                        if key not in self.missingResidues:
                            self.missingResidues[key] = []
-                        self.missingResidues[key].append(sequence[i])
+                        residueName = sequence[i]
+                        if residueName in substitutions:
+                            residueName = substitutions[sequence[i]]
+                        self.missingResidues[key].append(residueName)
                    else:
                        index += 1