fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scientific community willing to develop new scoring functions and extract pocket descriptors on a large scale level. fpocket is distributed as free open source software. If you are interested in integrating fpocket in an industrial setting and require official support, please contact Discngine (www.discngine.com).
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dpocket and multiple ligands on a single pdb file #148
Hi, I am not sure how dpocket manages the presence of multiple ligands of the same kind in a given PDB file. For instance, to which ligand instance do the results computed in 'dpout_fpocket.txt' correspond? Is there a way to sequentially consider each ligand instance?
Hi, I am not sure how dpocket manages the presence of multiple ligands of the same kind in a given PDB file. For instance, to which ligand instance do the results computed in 'dpout_fpocket.txt' correspond? Is there a way to sequentially consider each ligand instance?