[Dock-fans] Dock 6.6 error

John Irwin jir322 at gmail.com
Wed Dec 21 15:01:05 PST 2016


forwarded to dock-fans at docking.org

On Wed, Dec 21, 2016 at 2:34 PM, Sacco, Michael
<michaelsacco at health.usf.edu> wrote:
> To whom this may concern,
>
>
> My name is Michael Sacco and I am a PhD student in the Chen lab at the
> University of South Florida College of Medicine. I'm currently encountering
> a problem with Dock 6.6 that I cannot resolve. I have spent a long time
> troubleshooting, yet I cannot figure out what is wrong. After submitting the
> dock6 command, I am receiving the following error message:
>
> "Elapsed time:  0 seconds
>
> ERROR:  Could not complete growth.
>          Confirm that the grid box is large enough to contain the ligand,
>          and try increasing max_orientations.
>
>
> 1 Molecules Processed
> Total elapsed time:     0 seconds"
>
> I have tried changing the maximum number of orientations, set orient ligand
> to "off", as well as followed the instructions that were offered online, all
> to no avail. Additionally, I tried docking a very small molecule and that
> did not fit either. My spheres are correctly placed, the box is of
> sufficient size, and the docking has been previously performed with Dock
> 3.5. I have attached my grid parameters, flexible docking input, receptor
> file, crystallized ligand, sphere file, and box file. I was wondering if you
> could take a look and let me know what you think? Any help would be greatly
> appreciated.
>
> Thanks a lot,
>
> Michael Sacco
>
>


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