Output file for docking.

[vaghasiyautsav]

Is there any way we can get output file as pdbqt file of docked complex. ? Is there any way we can have matrix table for all of ligands we screend for one protein ?.

It would be best to get same output file as same_name_as_ligand.pdbqt. just like autodock vina.

[atillack]

@vaghasiyautsav The dlg output file (i.e. result.dlg) can be converted into a pdbqt file (i.e. result.pdbqt) using the following command:
grep "DOCKED:" result.dlg | cut -c9- > result.pdbqt

I hope this helps!