MOLE

• a universal toolkit for rapid and fully automated location and characterization of channels and pores in molecular structures. The core of the MOLE algorithm is a Dijsktra path search algorithm, which is applied to a Voronoi mesh. MOLE is a powerful software program for exploring large molecular channels, complex networks of channels and molecular dynamics trajectories in which analysis of a large number of snapshots is required.

Developers

Michal Otyepka

Martin Petrek

Categories

Structure Analysis

Versions

• Linux 32: 1.2
• Linux 64: 1.2
• OSX Intel: 1.2
• OSX PPC: 1.2

Citations

Petrek et al. MOLE: a Voronoi diagram-based explorer of molecular channels, pores, and tunnels. Structure (London, England : 1993) (2007) vol. 15 (11) pp. 1357-63

Petrek et al. CAVER: a new tool to explore routes from protein clefts, pockets and cavities. BMC bioinformatics (2006) vol. 7 pp. 316

License Type

This software is distributed under an Open license.