ADL: autodock

Beale, John jbeale at stlcop.edu
Mon Apr 23 05:03:18 PDT 2007


Dear Autodock users,

 

I have been trying to dock some small antibiotic molecules into a
peptide receptor. When I try to read the ligand files, it appears that
nothing was read in. In fact, though, by searching around the molecule
space I can find the molecules. It is as if they are way off center. If
I try to go ahead and use them as ligands in Autodock experiments they
don't dock very well. Is there a way to use ADT to center a molecule's
pdb file in molecule space (analogously to the "Center" command in
Sybyl)?

 

Thanks!

 

John Beale

 

 

 



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