diff --git a/src/parser/cif-parser.ts b/src/parser/cif-parser.ts index 20a236cf..ab4fa886 100644 --- a/src/parser/cif-parser.ts +++ b/src/parser/cif-parser.ts @@ -959,7 +959,7 @@ class CifParser extends StructureParser { const bondOrderField = ccb.getField('value_order')! for (let i = 0; i < ccb.rowCount; i++) { - const order = valueOrder2bondOrder[bondOrderField.str(i)] + const order = valueOrder2bondOrder[bondOrderField.str(i).toUpperCase()] if (!order) continue; s.chemCompMap.addBond(resnameField.str(i), atom1Field.str(i), atom2Field.str(i), order) }