MOLE 2.0online introduction page
MOLEonline 2.0 web interface provides a direct access to MOLE 2.0 functionality and enables on-line and easy-to-use interactive channel analysis.
MOLE 2.0 is an universal toolkit for rapid and fully automated location and characterization of channels, tunnels and pores in (bio)macromolecular structures.
MOLEonline 2.0 features
- Channel calculation three times quicker than previous version of MOLE
- Automatic active site identification for enzymes using CSA
- Interactive visualization of structure and channels with Jmol
- Interactive selection of starting points from the sequence or set of residues
- Automatic detection of starting points in cavities
- Visualization of starting points
- Cavity and molecular surface visualization
- Tunnel size profile
- Analysis of residues lining channels along with sidechain/mainchain resolution with physicochemical properties (charge, polarity, hydropathy, hydrophobicity, mutability, etc.)
- Results download in form of report, channel export in format of PDB and pymol python script
- Free of charge
Example of working environment with gramicidin (1GRM).
Mac OS Java problems21. 05. 2014
Server failure09. 04. 2014
Web updates07. 09. 2013
MOLEonline 2.0 new features:
- Tunnels can be found within biological assemblies
- Several bugs were removed