CCOMP (Complex COMParison) 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.
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W. Sicinska, P. Rotkiewicz,
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