Knowledge Base + FragFEATURE This package is for users interested in running FragFEATURE with our pre-computed knowledge base or with a user generated knowledge base. This package contains A) the knowledge base B) scripts to generate the knowledge base C) scripts to run FragFEATURE using the knowledge base PDB Ligand Fragmentation This package is for users interested in fragmenting ligands bound by protein structures. The manual described fragmenting the PDB ligands but is adaptable to any ligand. Ligand fragmentation is used in the previous package but a pre-compiled version is contained within the knowledge base package. This package contains A) scripts for fragmenting ligands
Downloads instructions and details