AutoGrid
 

Welcome to AutoGridFR's Home Page

AutoGridFR (AGFR) is a graphical user interface for specifying the docking box on a receptor prepared for AutoDock (i.e. PDBQT file), optionally specifying flexible receptor side chains, and generating affinity maps usable with AutoDockFR (as well as AutoDock4). The program is available for Linux, Mac OS and Windows.

A tutorial is available on this web site in HTML form, or can be downloaded as a PDF file.

Known issues:

    - residues selection widgets won't open if the chain ID in the receptor PDBQT file is ' ' (i.e. space character). This has been fixed and the fix will be included in the enext release

below is a snapshot of the user interface

AFGR GUI




Copyright  Sanner Laboratory and TSRI 2016