We developed a software-suite for automated structural analysis of the Protein Data Bank PDB files. The software is capable for finding the protein-ligand complexes, listing the verified ligand binding sites and repairing the incomplete PDB data.
The software is capable to automatically decompose and repair the whole PDB in several hours, and also your propietary PDB files.
Every month several hundred new PDB files are published; with our tool you can maintain a fresh, repaired and decomposed database.
Sample output More than 1000 PDB files are decomposed in the directory of sample output. There you can evaluate the capabilities of our program.
User's manual The user's manual contains the detailed description of our program, including screenshots and scripts for high-volume processing.