>> BTW, as part of the 2.0 effort, I'm adding support for Python scripts
>> ("workflows") that will get the active selection. In principal, you could
>> also improve the Gaussian input generator to read out the selection. If
>> you're interested, I can share some branches with you.
>
> This is really nice! I actually tried python in avogadro 1.2 before
> looking at C++ but I had no success in getting data out of GLWidget.
> Please share the branches, I'm curious :D
I don't yet have an example of getting and modifying selection - I'll add one
soon. But both the workflow and input generator scripts can get the molecule
CJSON, which now includes selected atoms.
https://github.com/OpenChemistry/avogadrolibs/pull/146
<https://github.com/OpenChemistry/avogadrolibs/pull/146>
The other piece that should come soon is a feature for Avo2 that will allow
users to look at a set of known GitHub repositories to install and update new
features (e.g., like Atom or Eclipse or lots of other editors). So you could,
e.g. update the Gaussian generator and let others use it before the next
official release.
-Geoff
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