CrystalCMP

1.0 Rev.45 100% FREE GPL    
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An application designed to compute crystal and molecule similarities, offering a wide array of options and the capability to render graphics based on the results

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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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Last updated on April 21st, 2014

#Crystal Structure #Compare Crystals #Crystal Similarity #Compare #Crystal #Molecule #Analyze

CrystalCMP - The main window displays a list of the opened files and a similarity table where you can enable or disable options.CrystalCMP - The Crystal Similarity menu offers you the possibility to compute PDF, mPDF or t-RMSD similarities.CrystalCMP - In the Molecule Similarity menu you can calculate ANGLE and PDF-modified similarities.CrystalCMP - You can move or invert asymmetric parts with the use of the options from the Moving menu.CrystalCMP - The Settings window for every type of computation allows you to change the values of resolution and peak width fields.CrystalCMP - The GL Window can render the computer results and display them in different colors.
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