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parKVFinder-win v1.0.1
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@jvsguerra jvsguerra released this 23 Feb 15:04
· 8 commits to master since this release
v1.0.1
87d5bde

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).

Changes (v1.0.1):

  • Fixed a plugin error message
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