Pykvfinder

Python-C parallel KVFinder

The Python-C parallel KVFinder (pyKVFinder) detects and characterizes cavities (shape, volume, area, depth, hydropathy and interface residues and their frequencies) in target biomolecular structures using a dual-probe system.

Python package

The pyKVFinder package is easily imported into Python scripts with a set of functions that enables the full and standard workflows and step-by-step analysis.

Command-line interface

The integrated command-line interface performs cavity detection and characterization with a customizable set of parameters. The standard characterization includes shape, volume, area, and interface residues and their frequencies. The optional characterization are depth (per cavity point, maximum and average) and hydropthy (per surface point and average) with six options of built-in hydrophobicity scales (EisenbergWeiss, HessaHeijne, KyteDoolittle, MoonFleming, WimleyWhite and ZhaoLondon).

What's Changed
* Fix numpy version bug by jvsguerra in https://github.com/LBC-LNBio/pyKVFinder/pull/2

**Full Changelog**: https://github.com/LBC-LNBio/pyKVFinder/compare/v0.3.0...v0.3.1

Python-C parallel KVFinder

The Python-C parallel KVFinder (pyKVFinder) detects and characterizes cavities (shape, volume, area, depth, hydropathy and interface residues and their frequencies) in target biomolecular structures using a dual-probe system.

Python package

The pyKVFinder package is easily imported into Python scripts with a set of functions that enables the full and standard workflows and step-by-step analysis.

Command-line interface

The integrated command-line interface performs cavity detection and characterization with a customizable set of parameters. The standard characterization includes shape, volume, area, and interface residues and their frequencies. The optional characterization are depth (per cavity point, maximum and average) and hydropthy (per surface point and average) with six options of built-in hydrophobicity scales (EisenbergWeiss, HessaHeijne, KyteDoolittle, MoonFleming, WimleyWhite and ZhaoLondon).

Python-C parallel KVFinder

The Python-C parallel KVFinder (pyKVFinder) detects and characterizes cavities (shape, volume, area, depth, hydropathy and interface residues and their frequencies) in target biomolecular structures using a dual-probe system.

Python package

The pyKVFinder package is easily imported into Python scripts with a set of functions that enables the full and standard workflows and step-by-step analysis.

Command-line interface

The integrated command-line interface performs cavity detection and characterization with a customizable set of parameters. The standard characterization includes shape, volume, area, and interface residues and their frequencies. The optional characterization are depth (per cavity point, maximum and average) and hydropthy (per surface point and average) with six options of built-in hydrophobicity scales (EisenbergWeiss, HessaHeijne, KyteDoolittle, MoonFleming, WimleyWhite and ZhaoLondon).

Python-C parallel KVFinder

The Python-C parallel KVFinder (pyKVFinder) detects and characterizes cavities (shape, volume, area, depth, hydropathy and interface residues and their frequencies) in target biomolecular structures using a dual-probe system.

Python package

The pyKVFinder package is easily imported into Python scripts with a set of functions that enables the full and standard workflows and step-by-step analysis.

Command-line interface

The integrated command-line interface performs cavity detection and characterization with a customizable set of parameters. The standard characterization includes shape, volume, area, and interface residues and their frequencies. The optional characterization are depth (per cavity point, maximum and average) and hydropthy (per surface point and average) with six options of built-in hydrophobicity scales (EisenbergWeiss, HessaHeijne, KyteDoolittle, MoonFleming, WimleyWhite and ZhaoLondon).

Python-C parallel KVFinder

The Python-C parallel KVFinder (pyKVFinder) detects and characterizes cavities (shape, volume, area, depth, hydropathy and interface residues and their frequencies) in target biomolecular structures using a dual-probe system.

Python package

The pyKVFinder package is easily imported into Python scripts with a set of functions that enables the full and standard workflows and step-by-step analysis.

Command-line interface

The integrated command-line interface performs cavity detection and characterization with a customizable set of parameters. The standard characterization includes shape, volume, area, and interface residues and their frequencies. The optional characterization are depth (per cavity point, maximum and average) and hydropthy (per surface point and average) with six options of built-in hydrophobicity scales (EisenbergWeiss, HessaHeijne, KyteDoolittle, MoonFleming, WimleyWhite and ZhaoLondon).

Python-C parallel KVFinder

The Python-C parallel KVFinder (pyKVFinder) detects and characterizes cavities (shape, volume, area, depth, hydropathy and interface residues and their frequencies) in target biomolecular structures using a dual-probe system.

Python package

The pyKVFinder package is easily imported into Python scripts with a set of functions that enables the full and standard workflows and step-by-step analysis.

Command-line interface

The integrated command-line interface performs cavity detection and characterization with a customizable set of parameters. The standard characterization includes shape, volume, area, and interface residues and their frequencies. The optional characterization are depth (per cavity point, maximum and average) and hydropthy (per surface point and average) with six options of built-in hydrophobicity scales (EisenbergWeiss, HessaHeijne, KyteDoolittle, MoonFleming, WimleyWhite and ZhaoLondon).