[Dock-fans] Help:Why my dock always tell me this:ERROR: Could not complete growth.

[Scott Brozell]

Hi,

On Tue, 8 Jan 2008, thirsty wrote:

> Why my dock always tell me this
> 
> ERROR:  Could not complete growth.
>          Confirm grid box is large enough to contain
>          ligand and try increasing max_orients.

If docking of a molecule is not successful then either this:

ERROR:  Could not find valid anchor orientation.

or this:

ERROR:  Could not complete growth.

will be emitted.  For context see
http://dock.compbio.ucsf.edu/DOCK_6/dock6_manual.htm#AnchorandGrow

> I use the selected_spheres.sph made by sphere selector commend, but dock6
> alway say: "Confirm grid box is large enough to contain ligand and try
> increasing" max_orients.  If i use the *.sph which is not processed by
> sphere selector commend, the error will not happen.

Presumably you mean that, e.g. in STEP 3 of
http://dock.compbio.ucsf.edu/DOCK_6/tutorials/sphere_generation/generating_spheres.htm
OPTION 1 works but OPTION 2 produces the error?
This indicates that cluster 1 is big enough, but that
your selected spheres are not.  Visualize these via showshpere as in the
tutorial.  Other general advice is in
http://blur.compbio.ucsf.edu/pipermail/dock-fans/2007-November/001280.html

> The accessories are related file.

Huh ?

Scott

> Thanks for any help.
> Guan Xin
> Central laboratory, Nankai University
> TianJin China