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

Features

  • Comparing crystal structures and showing the dendogram
  • Drawing overlapped crystal structures

Project Samples

Play Video dendrogram interactive similarity matrix 3D view

Project Activity

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Categories

Algorithms

License

GNU General Public License version 2.0 (GPLv2)

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CrystalCMP Web Site

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Additional Project Details

Languages

English

User Interface

wxWidgets

Programming Language

C++

Related Categories

C++ Algorithms

Registered

2009-04-07
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