MOLE 2.0: advanced approach for analysis of biomacromolecular channels

Table 1 Basic features of software tools for channel identification

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

ISSN: 1758-2946