For hypothetical MOF structures generated using PORMAKE, we checked the bonding information using the Calculation Bond function in Materials Studio and confirmed the presence of double bonds. However, when running MOFChecker, the corresponding atoms are still flagged as undercoordinated_c and undercoordinated_n with True.
I was wondering whether there is a way to properly account for multiple bonds in the coordination analysis, or if there is a recommended workaround to resolve this issue.
For hypothetical MOF structures generated using PORMAKE, we checked the bonding information using the Calculation Bond function in Materials Studio and confirmed the presence of double bonds. However, when running MOFChecker, the corresponding atoms are still flagged as undercoordinated_c and undercoordinated_n with True.
I was wondering whether there is a way to properly account for multiple bonds in the coordination analysis, or if there is a recommended workaround to resolve this issue.