[Chimera-users] AutoDock Vina error on Chimera

Utkarsh Narsaria aunarsaria0970 at gmail.com
Fri Jun 24 03:28:50 PDT 2022


Dear Team,
I am using chimera for a typical protein-ligand docking study. The ligands
were prepared in chimera itself using the dockprep options using gasteiger
charges and amber ff14SB force field. While docking the same using AutoDock
Vina function in Chimera , we encountered few errors for some of the
ligands. The errors are explained as follows :
1. "" Ho" is not a valid dock type AutoDock atom types are case-sensitive."
2. Autodock Vina Error on Chimera: "ValueError: Could not find an atomic
number for Hc Hc"
Any inputs regarding these will be helpful in resolving the issues.
Regards,
Utkarsh
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.rbvi.ucsf.edu/pipermail/chimera-users/attachments/20220624/709676bd/attachment.html>


More information about the Chimera-users mailing list