ADL: the size of the grid maps

Atanas Patronov patronov at gmail.com
Thu Jan 10 08:14:46 PST 2008


Hi everybody

I wonder if any of the AutoDockers had met any problems with creating
grid maps bigger than 65 65 65 for flexible docking. I am using the
windows based version and AutoDock tools 1.4.6. But I am pretty sure
that the problem is not related to the ADT. It has something to do
with autogrid4, but I am not sure where in the source code I should
look to eventually extend the grid.
Keep in mind that for the rigid docking everything is ok and the grid
maps have size the way you assign it (up to 126 126 126).
To extend the grid is vital for my work because the flexible residues
are located  really far from each other.
I would appreciate any help or suggestions you may have.
Thanks in advance,

Atanas.


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