ADL: Applying grid box for twisting protein
m.muzaffar687 at gmail.com
Fri Apr 10 11:31:07 PDT 2020
check for the active site residue, and give x,y,z co-ordinates in the grid
box and increase the dimension to 60 each (you can increase further as per
your need). This will cover the active site residues very well and then you
can proceed for docking of your ligand.
On Fri, 10 Apr 2020 at 22:31, Leo Juhlin <leojuhlin at gmail.com> wrote:
> I have a twisting protein that I want to dock a molecule on. However, as
> you can see in the picture below, the applied grid box is not parallel to
> the leaning protein, which means that I have to make the grid box a lot
> bigger in order to fit the residues between the twisting chains. Is there
> any way to adjust the grid box or the protein so that they are aligned?
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