[rDock-list-def] H donor center in pharmacophores constraint

[Shi, X. <xue...@uc...>]

Hi,
I am running some rDock calculations with pharmacophore constraints. One of such constraints is the hydrogen donor of hydrogen bonding. Does anyone know if the center coordinate of this constraint should be placed at the hydrogen atom or the heavy atom? Thank you very much!

Best,
Xuetao