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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Is it possible to get the actual pocket definition from `dpocket`? #143
I was wondering if there is a simple way to get the definition of the found (fpocket and/or explicit) pocket(s) out of dpocket? Either in terms of the location of alpha spheres or as a list of the partaking protein residues? If I run dpocket -f input.txt, I can get useful pocket metrics from the output files but I don't get any information on where the respective pockets really are.
If this is not easily possible right now, would that be something to be considered as a new feature? I figure the information I want is already present but just not exposed as output because the dpocket output already contains an overview of how many residues of a certain amino acid type are forming the pocket.
Hi, thanks for making these nice tools!
I was wondering if there is a simple way to get the definition of the found (
fpocketand/or explicit) pocket(s) out ofdpocket? Either in terms of the location of alpha spheres or as a list of the partaking protein residues? If I rundpocket -f input.txt, I can get useful pocket metrics from the output files but I don't get any information on where the respective pockets really are.If this is not easily possible right now, would that be something to be considered as a new feature? I figure the information I want is already present but just not exposed as output because the
dpocketoutput already contains an overview of how many residues of a certain amino acid type are forming the pocket.