Discngine / fpocket

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).
MIT License
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Some questions about the software #139

Open CathalBio opened 3 months ago

CathalBio commented 3 months ago

I am using FPocket and have 3 questions main about how it works.

  1. Is the algorithm stochastic or deterministic?
  2. Can the pockets overlap? I am working with a protein where I know the active site position but I am using Fpocket to extract information (size, associated residues etc). On some of the proteins I run FPocket on there seems to be two ‘pocket’s’ within the same active site pocket. Are the simulated pockets able to overlap with one another?
  3. Is there a list of what defines each of the outputs?