CrystalCMPCompare crystal structures with the help of this tool. | |
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CrystalCMP Description
CrystalCMP is an algorithm that compares crystal and molecule structures. It is using two approaches for this purpose - the fingerprint and the RMSD approach. Result of the comparison is a similarity matrix and/or dendogram. For crystal similarities, you can compute using PDF, TDF, c-RMSD or Fragment f-RMSD.
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