StructuralBiologyDec 17, 2024
A new program, MetalCoord, is described that classifies and utilizes the metal-coordination geometry and has been used to update metal-containing components from the CCP4 monomer library #Refinement #Restraints #MetalCoordinationGeometry https://t.co/GEAMKSEpTc
Improving macromolecular structure refinement with metal-coordination restraints

The Crystallography Open Database was mined to extract and organize metal environments. An algorithm and software were designed to apply the derived data to metal-containing components.

Acta Crystallographica Section D