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CCOMP
CCOMP is a simple command-line tool for comparing ligand/receptor complexes.
It can also be used for calculating pairwise all-atom RMSD of slightly different
protein structures, taking care of missing atoms, sequence inconsistencies, etc.
CCOMP reads two files in PDB format, including both a receptor and a ligand,
computes a pairwise sequence alignment of the receptor molecules, generates
alpha-carbon superposition of the receptor structures according
to the generated alignment, and computes individual deviations per residuum.
Additionally, several statistical measures are calculated.
If you are using this program in your work, please cite:
W. Sicinska, P. Rotkiewicz, "Computational analysis of the active sites
in binary and ternary complexes of the vitamin D receptor,"
J. Ster. Biochem. Mol. Biol., 103 (3-5), 305-309 (2007)
Changes list:
Version 3.70, July 19, 2007
- added chi2 and chi3 statistics
Version 3.60, July 17, 2007
- added chi-angle statistics
Version 3.50, July 16, 2007
- fix: sometimes superimposed structures were not saved
Version 3.40, December 13, 2006
- displays ligand-receptor contact list
Version 3.30, December 9, 2006
- hydrogens are preserved in superposed structures (complex_superposition.pdb)
Download CCOMP version 3.70, updated on July 19, 2007:
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[an error occurred while processing this directive] visitors since Dec 1, 2006
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Copyright © 2004-2007 Piotr Rotkiewicz
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