ADL: Rotating Grid Box and Sensitivity Tweaks

Jeffrey Dyason j.dyason at
Mon Aug 6 14:21:43 PDT 2007

        I've not found any easy way to rotate the orientation of the grid 
box but the tedious way is to change the coordinate space of your protein 
in a modelling program (I've used InsightII) by aligning it to a 
particular view and then saving the transformed coordinates.

Bye Jeff.
Jeff Dyason                                    e-mail: 
J.Dyason at
Institute for Glycomics
Griffith University                          (Gold Coast Campus)  
PMB 50 Gold Coast Mail Centre       Tel: +61 7 5552 7028
Queensland 9726 Australia              Fax: +61 7 5552 8098

Andrew Fant <fant at> 
Sent by: autodock-bounces at
07/08/07 06:18 AM
Please respond to
autodock at; Please respond to
fant at

autodock at

ADL: Rotating Grid Box and Sensitivity Tweaks

Good Afternoon All,
   I have two autodock questions that I could appreciate some feedback on, 
relatively simple, and one I fear that may not be.

Is there an easy, graphical method to rotate the orientation of the grid 
that is set up in ADT?  I realize that this might be non-trivial because 
by this
point the pdbqt files for receptor and ligand have already been set up 
that coordinate frame, but it would be nice if possible.  I have a model 
of a
receptor with a long rectangular binding region that naturally runs along
essentially the diagonal of a binding cube, and I spend a lot of time 
doing dock
searches in areas that aren't particularly useful.

More information about the autodock mailing list