Hello everybody,
I'm not sure if this is the proper mail list for this question, so if it is
not, please let me know.
I am an Avogadro/Open Babel user and I'd like to add a cif==>xyz conversion
functionality in a MATLAB/OCTAVE program we develop at our lab (
http://megacell.lnls.br ). It would be really valuable for us to provide
this support. Of course I could use a system call to babel and have it to
convert the files, but (with all the respect), in our context, I think it's
annoying requiring that users download and install Babel to use ONLY this
conversion function along with our program.
Could anyone give me an starting point to write this function, or something
similar already existent, if there is any?
I've taken a look at
http://openbabel.org/api/2.2.0/classOpenBabel_1_1OBConversion.shtml#_detailsand
CIF format sepcifications, but I couldn't figure much about specific
formats conversion.
Of course, all the credits to helpers and Babel will be given, and our code
is open.
Thanks in advance,
--
Ricardo Diogo Righetto
------------------------------------------------------------------------------
All of the data generated in your IT infrastructure is seriously valuable.
Why? It contains a definitive record of application performance, security
threats, fraudulent activity, and more. Splunk takes this data and makes
sense of it. IT sense. And common sense.
http://p.sf.net/sfu/splunk-d2d-c2
_______________________________________________
OpenBabel-discuss mailing list
OpenBabel-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
