a software package for visualization and analysis of molecular structures comprising AutoDockTools (ADT): a graphical front-end for setting up and running AutoDock; Python Molecule Viewer (PMV); and Vision: a visual-programming environment for building networks describing novel combinations of computational methods and yielding new visualizations of their data.
InstallationUse the following command to install this title with the CLI client:
$ sbgrid-cli install mgltools
M. Sanner. 1999. Python: A Programming Language for Software Integration and Development. J. Mol. Graph. Model. 17(1): 57-61.
(Note: This is the primary citation for producing molecular graphics images.)
G. Morris, R. Huey, W. Lindstrom, M. Sanner, R. Belew, D. Goodsell, and A. Olson. 2009. Autodock4 and AutoDockTools4: automated docking with selective receptor flexiblity. Journal of Computational Chemistry. 30(16): 2785-91.
(Note: This is the primary citation for molecular docking applications.)
*Full citation information available through
OS X INTEL:1.5.4, 1.4.5