residue selection

[abiotik]

After reading your documentation I didn't find a script that will tell the docking software to bind a ligand in a specific area/residues desired. Can you help me in that?

[pgancarski]

In
1.-Molecular_Docking.ipynb

You can find the section
4.3. Box definition
center, size= getbox(selection='lig',extending=5.0,software='vina')

So the binding site is defined as a box that includes the reference ligand with an extra margin of 5