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partridgejiang / cheminfo-to-web

An experimental project to recompile native chemoinformatics libs into JavaScript.
https://partridgejiang.github.io/cheminfo-to-web/
MIT License
13 stars 3 forks source link

OpenBabel 3 support? #4

Closed jotjot closed 3 years ago

jotjot commented 4 years ago

Is there a chance you might change the binding for the new OpenBabel::OBAtom? Many things have changed from 2.4.1 to 3.0.

partridgejiang commented 4 years ago

I'll inspect 3.0 later. By the way, is 3.0 officially published? I found it on the GitHub repo but not on the OpenBabel website (still 2.4.0 on it), :(.

jotjot commented 4 years ago

Version 3.0.0 was released on GitHub on Oktober 10 last year, just a few days ago version 3.1.1 was released. If you go to the OpenBabel website it does not mention v3 in the news, but when you go on downloads [http://openbabel.org/wiki/Category:Installation] it will direct you to the latest version, which now is 3.1.1. Thank you! I do not know enough about OpenBabel's internal structure to make the changes.

partridgejiang commented 3 years ago

@jotjot, build of OpenBabel3 was added now, please check OpenBabel3/OpenBabel-js/bin/ directory for the compilation. Enjoy, :).

jotjot commented 3 years ago

Thank you!!