I am using ChemBio3D Ultra and its Autodock interface to examine the binding of a peptide ligand to a protein receptor. I successfully installed Autodock4 and Autodock tools and have them routed to C:\Program Files (x86)\The Scripps Research Institute and C:\Program Files (x86)\MGLTools 1.5.4, respectively. Using the "setup autodock calculation" feature, I prepared my receptor, ligand, GPF and DPF. When I go to the "Docking" tab on the interface and click "Run Autodock", I get the following error message: "'C:\Program' is not recognized as an internal or external command, operable program or batch file'". The accompanying prompt states, "Docking job has not been properly completed." My working directory is "C:\AutoDock_CB3D".
How can I resolve this error? Thank you in advance for your help.
Thank you for the reply! I will uninstall it completely, install it again with the most current MGLTools, and then make sure it is directed along a path with no spaces. I will report back my results. I really appreciate you taking the time to respond and send the detailed link.
I apologize for the late second response, my follow-up post must not have added before I closed the window. I wanted to say thank you again, Dr. Pillai. You were absolutely correct about the spaces in the path name. AutoDock and AutoDockTools require that there be absolutely no spaces in the path name or else there will be an error. I appreciate your help! Thank you.
- Badges
- Science topic