MOLE 2.0

MOLEonline 2.0 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, e.g., proteins, RNA, DNA and biomacromolecular assemblies.

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).