The parallel KVFinder for Windows (parKVFinder-win) software identifies and describes cavities in a target biomolecular structure using a dual probe system.
The description includes spatial and constitutional characterization. The spatial description includes shape, volume, and area. The constitutional description includes amino acids that form the identified cavities.
Main features:
- Multi-threaded parallelization;
- New approach to area estimation;
- New space segmentation strategies;
- New approach to control cavity ceiling and segmentation;
- PyMOL v2.x plugin with a graphical Qt user interface (
PyMOL2 parKVFinder Tools); - Integrated command-line interface (CLI;
parKVFinder-win64.exe).
Changers (v1.0.2):
- Minor bug fixes in plugin
- Plugin accepts .toml results from other LBC's software
Changes (v1.0.1):
- Fixed a plugin error message