ADL: Zero Values at Grid Maps

Riad Schulz rschulz at uni-greifswald.de
Tue Jan 27 01:12:53 PST 2009


Hello João,

if you are not sure, where the gridcenter is, just check the gpf. There must 
be a line where the xyz of the gridcenter is specified.

kind regards
Riad Schulz


----- Original Message ----- 
From: "João Teixeira" <joaomcteixeira at gmail.com>
To: <autodock at scripps.edu>
Sent: Monday, January 26, 2009 12:25 PM
Subject: ADL: Zero Values at Grid Maps


Hello everyone,

When a run autogrid4, most of the time I get maps full of zero values which
become unuseful for working.
When I set at the .dpf file the grid box coordinates at 'auto' it is able to
set it over the protein and therefore give a maps with useful values.
But when I place the grid box center at a position of my choice or at the
center of a ligand the maps are output as zero.
I believe the error is that the program is placing the center of the box at
positions 0,0,0 somewhere in the procedure.
At the moment I am unable to do the grid for a selected region for further
docking research with the specific ligand.

Does anyone has any clues about how to resolve the problem?

Thanks in advance,
João Teixeira
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