[Openchemistry-developers] Contributing to OpenChemistry

Geoffrey Hutchison geoff.hutchison at gmail.com
Mon Mar 28 21:58:35 EDT 2016


Welcome! 

I put the Avo2 roadmap onto the wiki:
http://wiki.openchemistry.org/Avogadro_Roadmap <http://wiki.openchemistry.org/Avogadro_Roadmap>
(This version has better formatting: https://github.com/Avogadro/avogadro/wiki/Avogadro-v2-Roadmap <https://github.com/Avogadro/avogadro/wiki/Avogadro-v2-Roadmap>)

Have you used Avogadro v1 previously? If so, perhaps there's a feature you'd like to see ported. I'll give a few ideas and if you pick one, I can give some pointers on how to get started.

Otherwise, I think two key tasks would be:
1) The various "builders" (e.g., insert fragment molecule, insert peptide, insert DNA)
http://manual.avogadro.cc/content/2-building-molecules/6-insert-fragments.html <http://manual.avogadro.cc/content/2-building-molecules/6-insert-fragments.html>

2) The property tables (These will require implementing iterators to go through all atoms, all bonds, all angles (i.e., A-B-C, where AB and BC are bonds), and all 4-atom torsions (A-B-C-D).
http://manual.avogadro.cc/content/6-menus/3-view-menu.html <http://manual.avogadro.cc/content/6-menus/3-view-menu.html>

Another very useful task would be to port some of the rendering engines from Avo1, like the "Label" engine. There are a few that are still missing, but "label" is highest on the list:
http://manual.avogadro.cc/content/5-display-types/1-display-types.html

> I am proficient in C, C++, and Python and I would like to contribute to the development of Avogadro application. Please let me know if there are open bugs, or features to be ported and I will start working on them.

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