From: MOLE 2.0: advanced approach for analysis of biomacromolecular channels
Features | Software | |||||
---|---|---|---|---|---|---|
MOLE 2.0 | MOLE 1.4 | MolAxis | CAVER 2.0 | CAVER 3.0 | ||
Input and output | Command line interface | Yes | Yes | Yes | Yes | Yes |
GUI | Yes | Web | Web | No | No | |
Suggested start points from CSA | Yes | Yes | No | No | No | |
Automatic suggestion of start points | Yes | No | Yes | No | No | |
Possibility to set end point | Yes | No | No | No | No | |
PyMOL export | Yes | Yes | No | Yes | Yes | |
PyMOL plugin | Yes | Yes | No | Yes | Yes | |
Settings of calculation | Number of parameters | 9 | 9 | 11 | 8 | 35 |
Adjustable surface of a molecule | Yes | No | Limited | No | Yes | |
Channel filtering | Yes | No | Limited | No | Yes | |
Cavity computation | Yes | No | No | No | No | |
Computation of physicochemical properties | Yes | No | No | No | No |