Open diegoenry opened 2 years ago
Diego,
I would like to thank you for the comment. Fortunately, this is available on the official Suave website (https://www.biomatsite.net/suave-software). This GitHub page is still being developed and I hope to cover all points as soon as possible.
Please have a look at the website. You will see a Tutorial, Readme file explaining how to use and how to compile the code.
As to the publication, please see:
Santos, D. E. S.; Coutinho, K.; Soares, T. A. (2022) Surface Assessment Grid Evaluation (SuAVE) for Every Surface Curvature and Cavity Shape. Journal of Chemical Information and Modeling.
Santos, D. E. S.; Pontes, J. F. S.; Lins, R. D.; Coutinho, K.; Soares, T. A. (2020) SuAVE: A Tool for Analyzing Curvature-Dependent Properties in Chemical Interfaces. Journal of Chemical Information and Modeling, v. 60(2), p. 473-484.
Right on ! I’ll stay tuned for the documentation updates.
Denys, apparently it’s not straightforward for a new users to run SuAVE. Therefore, it could benefit from: