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"...reference/tests/TestReferenceCompoundIntegrator.cpp" did not exist on "b06fc4a7a47478beacbaf5cc108f755653bc7abb"
Unverified Commit af8066cc authored by Peter Eastman's avatar Peter Eastman Committed by GitHub
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Support some nonstandard names generated by PyMol (#3441)

parent 8f9f355e
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wrappers/python/openmm/app/data/pdbNames.xml
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...@@ -106,6 +106,10 @@ ...@@ -106,6 +106,10 @@
<Residue name="PHE" type="Protein"> <Residue name="PHE" type="Protein">
<Atom name="HB2" alt1="2HB"/> <Atom name="HB2" alt1="2HB"/>
<Atom name="HB3" alt1="HB1" alt2="1HB" alt3="3HB"/> <Atom name="HB3" alt1="HB1" alt2="1HB" alt3="3HB"/>
<Atom name="HD1" alt1="1HD"/>
<Atom name="HD2" alt1="2HD"/>
<Atom name="HE1" alt1="1HE"/>
<Atom name="HE2" alt1="2HE"/>
</Residue> </Residue>
<Residue name="TYR" type="Protein"> <Residue name="TYR" type="Protein">
<Atom name="HH" alt1="HOH"/> <Atom name="HH" alt1="HOH"/>
......
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