ADL: Applying grid box for twisting protein

Leo Juhlin leojuhlin at gmail.com
Fri Apr 10 09:59:22 PDT 2020


I have a twisting protein that I want to dock a molecule on. However, as
you can see in the picture below, the applied grid box is not parallel to
the leaning protein, which means that I have to make the grid box a lot
bigger in order to fit the residues between the twisting chains. Is there
any way to adjust the grid box or the protein so that they are aligned?


https://imgur.com/a/qISzPKI


More information about the autodock mailing list