A publication-quality web-based tool for analyzing coordination geometry in metal complexes using Continuous Shape Measures (CShM).
Computes CShM (shape measures) and other geometric indices from crystallographic information files (CIFs), which may contain single or multiple entries, or from COD (Crystallography Open Database) entries.
Continuous Shape and Symmetry Measurements in Rust.
Calculates the geometry indices tau_4, tau_5 and O and shape measures (CShM) from crystallographic information file (CIF)
Computes CShM (shape measures) and other geometric indices from crystallographic information files (CIFs) or xyz files, which may contain single or multiple entries.
Convert XYZ data to bond lengths & angles, calculate contacts, planes, dihedral angles, ring parameters, CShM, VdW-Volume and area, several molecular radii & diffusion coefficients, and print tables
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