full ad4 scoring terms

Scoring and Minimization with AutoDock Vina

Status: Beta

Brought to you by: dkoes

full ad4 scoring terms

Forum: Help and Feedback

Creator: Marawan Ahmed

Created: 2022-04-22

Updated: 2022-04-22

Marawan Ahmed - 2022-04-22

Hi,
I am wondering if it is possible to support full ad4 scoring terms (including directional H-bonding) in smina. Even with specifying ad4_scoring option, only few terms are being actually applied.

Thanks,
M

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David Koes - 2022-04-22

Terms with an angular component (e.g. directional H-bonding) aren't supported unless you're willing to implement them.

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