Subject: Re: CCL:Reusing autogrid maps in autodock

From: "Christoph Jacobs" <[email-masked]>
Date: Thu, 14 Sep 2000 10:19:52 +0200

Dear Trevor,
for my opinion you can reuse your gridmaps without any problem. A 
grid map represents only the proberties of your macromolecule in 
respects of the probes used to creat it (elements of your ligand) 
and it shoud be the same for one atom type and independ of the 
ligand. Then your ligand is docked to this gridmaps. If your ligands 
consist of different elements only the gridmaps for the elements in 
your actual ligand are needed.
Christoph Jacobs
FR 12.1 Pharmazeutische und Medizinische Chemie
Gebaeude 32
Universitaet des Saarlandes
66041 Saarbruecken