ADL: ADT Bug

Wenjing Gong wg420 at nyu.edu
Wed Apr 22 14:27:36 PDT 2009


Hi:
I am a graduate student in NYU and using CO2 as Ligand in ADT for autodock4.
However, when I open the CO2 pdb file. The whole system shut down.
My file is:
HETATM    1  C   CO2  2592      -0.001   0.002   0.001    
HETATM    2  O1  CO2  2592      -0.191   0.975   0.261       
HETATM    3  O2  CO2  2592       0.191  -0.977  -0.263   
END

Could anyone tell me what is the problem?
I guess Autodock don't have the atom type for CO2 sp carbon atom. But I can find the atom list of AT4,
If that is true, How do I add the new atom type to autodock?
Thank you very much.

Sincerely,
Wenjing


More information about the autodock mailing list