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Ca Atom type data added

Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
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commit b91943a865a6bbe622109e5da07390212c1c304e 1 parent 6c3f09f
@asad asad authored egonw committed
Showing with 14 additions and 0 deletions.
  1. +14 −0 src/main/org/openscience/cdk/dict/data/cdk-atom-types.owl
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14 src/main/org/openscience/cdk/dict/data/cdk-atom-types.owl
@@ -1227,6 +1227,13 @@
<at:piBondCount>0</at:piBondCount>
</at:AtomType>
+ <at:AtomType rdf:ID="Ca.2">
+ <at:formalCharge>0</at:formalCharge>
+ <at:hasElement rdf:resource="&elem;Ca"/>
+ <at:formalNeighbourCount>2</at:formalNeighbourCount>
+ <at:piBondCount>0</at:piBondCount>
+ </at:AtomType>
+
<at:AtomType rdf:ID="Ca.2plus">
<at:formalCharge>2</at:formalCharge>
<at:hasElement rdf:resource="&elem;Ca"/>
@@ -1236,6 +1243,13 @@
<at:lonePairCount>0</at:lonePairCount>
</at:AtomType>
+ <at:AtomType rdf:ID="Ca.1">
+ <at:formalCharge>0</at:formalCharge>
+ <at:hasElement rdf:resource="&elem;Ca"/>
+ <at:formalNeighbourCount>1</at:formalNeighbourCount>
+ <at:piBondCount>1</at:piBondCount>
+ </at:AtomType>
+
<at:AtomType rdf:ID="Mg.2plus">
<at:formalCharge>2</at:formalCharge>
<at:hasElement rdf:resource="&elem;Mg"/>
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