How to use the function of ‘Prediction of supramolecular assemblies’ and 'Design optimization'

[czzhw1603]

Your recent article(Nat. Mat, 2024) proposes a method for predicting DNA origami structure using graph neural networks. I think it's very powerful and exciting. I want to know how to use the function of ‘Prediction of supramolecular assemblies’ and 'Design optimization' mentioned in the article. And will I only be able to view their structures on a web page, rather than storing their 3D structures in pdb or some other format?

[SSDL-SNU]

Dear czzhw1603,

Thank you for your interest in our work,

Currently, these processes (Supramolecular assemblies and Design optimization) involve some manual adjustments, which, albeit effective, encounter technical issues in achieving full automation and user-friendly.
We are actively engaged in the development of a more comprehensive version, aimed at addressing these challenges soon.
If you have any inquiries regarding the implementation of these methods for specific problems, we're willing to share and discuss

In this version, the output is formatted in '.pt', which describes the coordinates and orientations of each base-pairs, we will update the function to convert it into '.pdb' file as soon as possible

Thank you once again for your attention and ongoing support.

[czzhw1603]

Thanks for your reply. I'm looking forward to the next release and thank you for your dedication to this project so that we can have such a wonderful tool!