MOLE 2.0: advanced approach for analysis of biomacromolecular channels
MOLE 2.5 Update
Update of MOLE 2 with novel functionality and bug fixes has been released. The binaries and plugins are available for download from the | main page.
- Easily remove parts of the PDB entry with PatternQuery.
- New PDB standard mmCIF is supported and recommended for all calculations.
- New weight functions for tunnel/pore calculation.
Availability and Requirements
MOLE 2.5 is available as a GUI application with in-built molecular browser enabling user interactive work; command-line application and PyMOL & Chimera plugin. Some functionality is also available via online web service.
- GUI application is available for Windows with .NET 4.0 framework or newer installed.
- Command-line application and PyMOL&Chimera plugin are available for Windows, Linux (Unix) and MacOS. For Linux (Unix) and MacOS systems Mono framework 2.10 or newer is required.
- Sehnal D, Svobodová Vařeková R, Berka K, Pravda L, Navrátilová V, Banáš P, Ionescu C-M, Otyepka M, Koča J: MOLE 2.0: advanced approach for analysis of biomacromolecular channels. Journal of Cheminformatics 2013, 5:39.
- Pravda,L., Berka,K., Svobodová Vařeková,R., Sehnal,D., Banáš,P., Laskowski,R.A., Koča,J. and Otyepka,M. (2014) Anatomy of enzyme channels. BMC Bioinformatics, 15, 379.
- Berka K, Hanák O, Sehnal D, Banáš P, Navrátilová V, Jaiswal D, Ionescu C-M, Svobodová Vařeková R, Koča J, Otyepka M: MOLEonline 2.0: interactive web-based analysis of biomacromolecular channels. Nucleic acids research 2012, 40:W222–7.