Closed sylvaincordiere closed 5 years ago
Hi @sylvaincordiere, actually, the 3D structure calculation is not performed by Kekule.js itself, but with the OpenBabel, a famous chemoinformatics toolkit written in C++. With the help of Emscripten, the lib was compiled into JavaScript. Kekule.js provides a adapter for the compiled OpenBabel lib, thus in the 3D generator demo, all MM calculations can be done totally in the browser environment.
Hi partridgejiang I discover kekele.js today and I find it amazing specially the 3d structure generator. I just want to know what algorithm do you use to generate the 3D structure ? Thanks