Tell me how to use --addH, I tried --addH no, --addH off, --addH 0, --addH false, --addH true, --addH=no, --addH 1, --addH=false and .... The result is always the same - part of the hydrogens disappear from my initial state of the ligand.
extremely grateful
If you would like to refer to this comment somewhere else in this project, copy and paste the following link:
Hello!
How to use --addH
Tell me how to use --addH, I tried --addH no, --addH off, --addH 0, --addH false, --addH true, --addH=no, --addH 1, --addH=false and .... The result is always the same - part of the hydrogens disappear from my initial state of the ligand.
extremely grateful
addH determines if hydrogens are added prior to atom typing. The output always has nonpolar hydrogens removed.
Thanks for the quick reply!
and the docking algorithm also always works without nonpolar hydrogens?
Correct. Polar hydrogens are important as they are used for atom typing and will determine if a nitrogen/oxygen is a donor and/or acceptor.