Mole - Revision history

Pyadmin: 3 revisions

2014-03-28T01:53:16Z

3 revisions

LukasPravda: added information about the new version of software MOLE

2013-09-10T12:38:23Z

added information about the new version of software MOLE

Tlinnet at 15:14, 15 January 2012

2012-01-15T15:14:13Z

Krapnik: Mole software

2010-07-19T20:32:32Z

Mole software

New page

[http://mole.chemi.muni.cz 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.

Program is available as standalone application for Linux(Unix), MacOS and Windows. Plugin for pyMol enables calling the MOLE program via an user friendly interface and allows results visualization. The on-line interface provides another interactive and easy-to-use interface to analyze molecular channels.

[http://mole.chemi.muni.cz/web/docs/doc_pymolplugin.php Tutorial] is also available.

References:

Petrek M., Kosinova P., Koca J., Otyepka M.: [http://dx.doi.org/10.1016/j.str.2007.10.007 MOLE: A Voronoi Diagram-Based Explorer of Molecular Channels, Pores, and Tunnels. Structure 2007, 15, 1357-1363]

[[Image:KscA.png]]

[[Category:Surfaces and Voids|Mole]]
[[Category:Biochemical_Properties]]
[[Category:Plugins]]

← Older revision		Revision as of 12:38, 10 September 2013
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		+	====There is a new version of MOLE [[MOLE 2.0: advanced approach for analysis of biomacromolecular channels\|check it out]]!====
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	[http://mole.chemi.muni.cz 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.		[http://mole.chemi.muni.cz 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.

← Older revision		Revision as of 15:14, 15 January 2012
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	[[Category:Biochemical_Properties]]		[[Category:Biochemical_Properties]]
	[[Category:Plugins]]		[[Category:Plugins]]
		+	[[Category:Pymol-script-repo]]

← Older revision	Revision as of 01:53, 28 March 2014
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