ADL: regarding active site

kaustubh kaustubh.joshi at systemsbiology.fi
Tue Jun 16 01:24:48 PDT 2009



The problem is not about not being able to select the atoms. Its about the
generation of grid at appropriate and expected position.
Am attaching a scrrenshot, where you can see my protein structure with
selected residues around the native ligand on right hand side below.
On the upper surface you can see the docked structure in molecular surface
form with a cubical grid around it.
The issue is, I asked autogrid4 to generate this grid around the native
ligand but every time it generates this grid on shown site and not the
expected site/
Since the molecule will dock at position where the grid is generated, I
guess the problem is associated with grid generation and I am not able to
solve this.


http://n2.nabble.com/file/n3085076/Screenshot.png Screenshot.png 
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