Create PDBQT receptor file from protonated PDB file.

[Le-Phung-Hien]

Hi,

Thanks for your great works!

Can I ask is it possible to use mk_prepare_receptor.py to make receptor file for Autodock? I used another program to protonate and assign charges to the receptor protein and exported as PDB file so I am not sure if the charges will be properly assigned to the PDBQT file.

[diogomart]

Hi,

Yes, see here: https://github.com/forlilab/Meeko#reactive-docking

At the moment it works only for standard amino acids and requires Amber atom names.

[Le-Phung-Hien]

Thanks!