Hello,
I am studying virtual screening and found that Openbabel GUI could be an useful
method for ligand preparation.
Actually, I could access some ways to change file format, very useful for me.
However, I can't find any method for ligand energy minimization in Openbabel
GUI. Only I could
Hello,
I am not sure about the Openbabel GUI, but for your application maybe the
Avogadro software would be more useful. It is built on top of the
Openbabel API, so it still has access to the file formats. It can
visualize and let you actually watch the optimization take place:
https://avogadro.