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When representing interactions, is it possible to exclude interactions among amino acids?

See original GitHub issue

When using docking-viewer example to represent interactions, is it possible to programmatically control Mol* to only show interactions between polymer and ligand, and do not show interactions among amino acids (e.g. interactions in the red box shown below)?

It seems that this function determines computing process of interactions, maybe I should override this file and add some extra filtering logics here? If it’s not too much trouble, can you give some code example to do so?

Thanks!

Issue Analytics

State:
Created a year ago
Comments:10 (5 by maintainers)

Top GitHub Comments

2reactions

dsehnalcommented, Sep 1, 2022

Well, seems like it got the job done for you and the solution looks sounds. We might discuss with @arose later this if we include this to the main library.

0reactions

Fx-Rencommented, Nov 1, 2022

Hello everyone, the topic of current issue is very helpful for me. But I have a question about docking-viewer, how to toggle the docking-viewer option? I did’t see the toggle button on the UI.

Thanks a lot!

@arose @xuzuodong

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