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I wonder is there a way to make Vina possible to perform docking of ligands containing heavy metal ions, like the way mentioned in the link above? Thank you!
The text was updated successfully, but these errors were encountered:
Aochzh
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How to add atom types to Vina?
How to perform docking of drugs that contain metal ions?
Jun 24, 2024
Hello!
I was trying to perform docking of ligands containing Ga, Tc or Re metal ions.
I got errors like: Atom type is not a valid AutoDock type (atom types are case-sensitive).
I can only find a tutorial about how to add atom types to autodock 4 (https://autodock.scripps.edu/how-to-add-new-atom-types-to-the-autodock-force-field/). However, this does not work for Vina.
I wonder is there a way to make Vina possible to perform docking of ligands containing heavy metal ions, like the way mentioned in the link above? Thank you!
The text was updated successfully, but these errors were encountered: