MOLE 2.0 – Location and Characterization of Channels, Tunnels and Pores in Molecular Structures

MOLE 2.0

:: DESCRIPTION

Program MOLE is an universal toolkit for rapid and fully automated location and characterization of channels, tunnels and pores in molecular structures. The core of MOLE algorithm is a Dijsktra path search algorithm, which is applied to a Voronoi mesh. MOLE is a powerful software (overcomming some limitations of CAVER tool) for exploring large molecular channels, complex networks of channels and molecular dynamics trajectories (AMBER ascii traj and parm7 are supported) in which analysis of a large number of snapshots is required.

::DEVELOPER

Martin Petrek (NCBR), Michal Otyepka (FCH UPOL)

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux / MacOsX / Windows

:: DOWNLOAD

MOLE

:: MORE INFORMATION

Citation:

Structure. 2007 Nov;15(11):1357-63.
MOLE: a Voronoi diagram-based explorer of molecular channels, pores, and tunnels.
Petrek M, Kosinov√° P, Koca J, Otyepka M.

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