Mole:News
From WebChem Wiki
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
