a simple command-line program for comparing ligand/receptor complexes. The program can be used for calculating pairwise all-atom RMSD of slightly different protein structures, taking care of missing atoms, sequence inconsistencies, and other problems often encountered in PDB files. CCOMP can read two files in PDB format, including both a receptor and a ligand, compute a pairwise sequence alignment of the receptor molecules, generate alpha-carbon superposition of the receptor structures according to the generated alignment, and calculate individual deviations per residuum. Additionally, several statistical measures are provided in the input file.
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