NPDock


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The exemplary output with explanations for the demo input can be found here.

Input

NPDock accepts input files in the formats: (1) (old and new) PDB format (2) AMBER format (3) CHARMM format (4) mol2 format.

Examples of input files in the PDB format:

Examples of input file in the AMBER format:

Examples of input file in the CHARMM format:

Examples of input file in the mol2 format: