AutoSite documentation

AutoSite is a program for identifying and characterizing binding pockets in biological macromolecules.

Running AutoSite

AutoSite needs the receptor in PDBQT format. The basic command is:

autosite -r receptor.pdbqt

It writes a log of the run and a folder of cluster points, feature points, cluster scores and AutoGrid files. The tutorial goes through a complete run and its output files.

AutoSite can also be run through AGFR, which uses it to find pockets while computing target files (option -asv selects AutoSite 1.0 or 1.1).

Step-by-step tutorial

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