Commit adb707e5 authored by Rafal P. Wiewiora's avatar Rafal P. Wiewiora
Browse files

PdbStructure passes element EP to PDBFile, rather than any extraParticleIdentifier

parent 89635b86
......@@ -797,7 +797,9 @@ class Atom(object):
except ValueError: self.formal_charge = None
# figure out atom element
if self.element_symbol == extraParticleIdentifier:
self.element = self.element_symbol
self.element = 'EP'
elif not self.element_symbol and extraParticleIdentifier is None:
self.element = 'EP'
else:
try:
# Try to find a sensible element symbol from columns 76-77
......
......@@ -108,7 +108,7 @@ class PDBFile(object):
atomName = atomReplacements[atomName]
atomName = atomName.strip()
element = atom.element
if element == extraParticleIdentifier:
if element == 'EP':
element = None
elif element is None:
# Try to guess the element.
......
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