Re: [OpenBabel-Devel] no openbabel bindings for OCaml?

2013-07-02 Thread Francois Berenger
On 07/03/2013 10:53 AM, Geoffrey Hutchison wrote: >> After a quick search on the web, I see no bindings for OCaml, right? > > No, not yet. > >> I may start one, because there is no way I go for C++. ;) > > Well, I'd start with Python or Ruby SWIG bindings and go from there. Good idea, that would b

Re: [OpenBabel-Devel] no openbabel bindings for OCaml?

2013-07-02 Thread Geoffrey Hutchison
> After a quick search on the web, I see no bindings for OCaml, right? No, not yet. > I may start one, because there is no way I go for C++. ;) Well, I'd start with Python or Ruby SWIG bindings and go from there. See scripts/openbabel-python.i. I know that SWIG supports OCaml generation, but t

[OpenBabel-Devel] no openbabel bindings for OCaml?

2013-07-02 Thread Francois Berenger
Hello, After a quick search on the web, I see no bindings for OCaml, right? I may start one, because there is no way I go for C++. ;) Regards, Francois. -- This SF.net email is sponsored by Windows: Build for Windows

Re: [OpenBabel-Devel] mol2 atom type to mass conversion

2013-07-02 Thread David Lonie
Francois, Take a look at the OBElementTable class. There is a global static instantiation of it (named 'etab') available through the mol.h header, see the example code on http://openbabel.org/api/2.3/classOpenBabel_1_1OBElementTable.shtml. The simple program: #include #include int main(int, c