This version relates to the Python 2.7 CSD version that is no longer used. MrMOX- MERCURY based CSD Python API scripts that determine oxidation states for transition metals in crystal structures.The process is as described in "Automated oxidation-state assignment for metal sites in coordination complexes in the Cambridge Structural Database".For details, contact:Matt Reevesm.g.reeves@outlook.comDownload: MRMOX.zip This article was published on 2024-08-30
