[Dock-fans] grid too small error

Scott Brozell sbrozell at scripps.edu
Thu Nov 1 22:21:14 PDT 2007


Hi,

On Wed, 31 Oct 2007, Samantha Kaye wrote:

> I keep getting a problem whilst trying to dock some molecules of 
> interest. The error suggests that the grid is too small to contain the 
> molecule, see below:
> 
>  Elapsed time:  0 seconds
> 
>  ERROR:  Could not complete growth.
>          Confirm grid box is large enough to contain
>          ligand and try increasing max_orients.
> 
> 1 Molecules Processed
> Total elapsed time:     0 seconds
> 
> I have tried increasing max-orients and I have tried expanding the box 
> (in showbox) 25A (which presumably makes the grid larger). I also tried 
> using a tiny molecule as a test to see if it would dock. Nothing seems 
> to work.
> 
> This isn't the first time I've use Dock but I am fairly new to it so any 
> advice you can offer would be much appreciated.

It seems that you have tried the usual suspects:
http://blur.compbio.ucsf.edu/pipermail/dock-fans/2007-January/000852.html
Have you visualized the various pieces: receptor, spheres, grid box ?
Did you use the tutorials as input templates ?

Are you bump filtering and
what version of DOCK are you using ?
http://blur.compbio.ucsf.edu/pipermail/dock-fans/2006-December/000837.html

More details may help track down the problem.

Scott




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