Create figure as published in ART-RRT: As-Rigid-As-Possible Exploration of Ligand Unbinding Pathways

[Surendra]

Hello SAMSON team,
I ran the Ligand unbinding pathway app for my complex system and I got the different path. I would like to know, how to make figure presenting the path in the colour form as published in original publication (Journal of Computational Chemistry 2018, DOI: 10.1002/jcc.25132). Is there any code or any app in SAMSON.

Looking for the recommendation.

Surendra

[Stephane]

Dear Surendra,

thanks for your interest in SAMSON! Unfortunately, at the moment this functionality is not available, but we will add it in upcoming versions (if you program in C++, it might be possible to code a visual model as in the tutorial at https://documentation.samson-connect.net/creating-novel-visualizations/).

Best,

Stephane

[Surendra]

Dear Stephane,
Thanks for the information. Unfortunately, I am not well versed in programming. Could it be possible to share the code, if you have created in that paper. You can share it to my email.

Thanks,
Surendra

[DmitriyMarin]

Dear @Surendra ,

The visual model for creating paths as in the ART-RRT paper will be available on https://samson-connect.net next week. I will keep you updated here.

Best regards,
Dmitriy

[DmitriyMarin]

Dear @Surendra ,

A visual model for creating pathlines as in the ART-RRT paper is available now. Please, check out the Pathlines tutorial to learn more.

Best,
Dmitriy

[Surendra]

Dear Dimitriy,
Thank you very much.

Best Regards,

Surendra