[Chimera-users] Problem with autodock vina in chimera

De campos, Luana J luana.decampos at unmc.edu
Thu Jan 16 10:00:07 PST 2020


I am using the option autodocking vina in chimera and I have a problem related to the docking results. I set up the docking parameters all correct and initiate the docking run. Apparently, everything goes well, I even receive a message in chimera saying that I can see the results in the directory chosen. However, when I use the option "ViewDock" I can not see the results and I get I message saying that the file .pdbt does not appear to be dock out. Also, the docking calculation goes really fast, not like before that I used to take some time. In my inspection of the .pdbqt file created in the directory from the docking calculation (using note pad) it just has the compounds and the flexible bonds, it does not have the energies of the complexes ligand-protein. 

Is there any way to correct this bug?

Thank you very much. 

Luana de Campos
Pharmaceutical sciences PhD. student
University of Nebraska Medical Center

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