fpocket
Overview
fpocket is a C based open source protient pocket/cavity detection algorithm based on Voronoi tessellation. The installation of fpocket includes both dpocket allowing you to extract pocket descriptors and tpocket to test your own scoring functions.
Availability
| Cluster | Module/Version |
|---|---|
| BOSE | fpocket/4.2.2 |
| BGSC | Not Available |
Note: You can simply use "module load fpocket" to activate the most recently installed version of this software.
How To Access
Access to fpocket is as simple as entering 'module load fpocket'
Real Example
Has your research group used fpocket in a project? Contact the HPC Team and we'd be glad to feature your work.
Citation
Please include the following citation in your papers to support continued development of fpocket.
Vincent Le Guilloux, Peter Schmidtke and Pierre Tuffery, "Fpocket: An open source platform for ligand pocket detection", BMC Bioinformatics, 2009, 10:168