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CrystalCMP

Easy-to-use tool for fast comparison of molecular packing

CrystalCMP is a code for comparing crystal structures. It is using two basic approaches for this purpose - the fingerprint and the RMSD approach. Result of the comparison is a similarity matrix and dendrogram. Read more here: J. Appl. Cryst. (2016). 49, 2172-2183 (https://doi.org/10.1107/S1600576716016058) and also here: J. Appl. Cryst. (2020). 53, 841-847 https://doi.org/10.1107/S1600576720003787

Downloads: 5 This Week

Last Update: 2025-04-29
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