Welcome to pyKVFinder’s documentation!
Welcome to the Python-C parallel KVFinder (pyKVFinder) documentation, this page was built to help you get started with our cavity detection and characterization package.
pyKVFinder is an open-source Python package designed for detecting and characterizing cavities in biomolecular structures. It employs a geometric grid-and-sphere-based method with a dual-probe system to detect cavities and provides detailed information about their spatial, depth, constitutional, and hydropathy characteristics. In addition to cavity detection, pyKVFinder also estimates the molecular volume, using van der Waals (vdW) surface, solvent excluded surface (SES), and solvent accessible surface (SAS) to represent the molecular surface.
Python Package