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Add formal charge option to atom site

ptourlas 3 years ago
parent
commit
a736fe7989
1 changed files with 1 additions and 0 deletions
  1. 1 0
      src/mol-model-formats/structure/mol.ts

+ 1 - 0
src/mol-model-formats/structure/mol.ts

@@ -45,6 +45,7 @@ export async function getMolModels(mol: MolFile, format: ModelFormat<any> | unde
         type_symbol,
 
         pdbx_PDB_model_num: Column.ofConst(1, atoms.count, Column.Schema.int),
+        pdbx_formal_charge: Column.range(-1, 1)
     }, atoms.count);
 
     const entityBuilder = new EntityBuilder();