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
- Quickest channel calculation on the market
- Channel profile - geometry
- List of residues lining channels (distinguishing sidechain/mainchain contact with the channel)
- Physico-chemical properties (charge, polarity, hydropathy, hydrophobicity, mutability, etc.) of channel
- Automatic active site identification for enzymes using CSA
- Interactive visualization of structure and channels with Jmol
- Automatic detection of starting points in cavities
- Interactive selection of starting points
- Visualization of starting points
- Cavity and molecular surface visualization
- Experimental feature - pore identification
- Download results - as a report, PDB files and script for PyMol®
- Free of charge
Example of working environment with gramicidin (1GRM).
Java problems21. 11. 2014
Channels in Enzymes18. 11. 2014
Web updates07. 09. 2013
MOLEonline 2.0 new features:
- Tunnels can be found within biological assemblies
- Several bugs were removed