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MOLE 2.5 release

Mole 2.5 release contains among several bugfixes these main features:

  • Support of the new PDB standard - the mmCIF file format.
  • Definition of user end points, where the channel should exit.
  • Integration of PatternQuery language for definition channel start points as well as parts of the structure which should be discarded prior to the calculation
  • New weight function suitable for pore identification, and improved weight function for identification of buried tunnels.
  • Results can be exported in JSON format

On the top of these features, which are available in the command-line version of the tool, other features are available on the web server

  • Automatic identification of transmembrane pores
  • Integration of LiteMol Viewer, a powerful 3D molecular viewer which requires only modern web browser