diff --git a/README.md b/README.md index 5f36ee4..b62d841 100644 --- a/README.md +++ b/README.md @@ -1,7 +1,7 @@ -# OpenChemistry Molecules +# Molecules +=========== -Common molecule fragments for visualization in Avogadro. -Includes a variety of organic functional groups, including: +Common molecule fragments including a variety of organic functional groups: - alcohols - aldehydes @@ -31,3 +31,8 @@ Includes a variety of organic functional groups, including: - steroids - sulfoxides - thiols + +All molecules are made available the BSD license. Most are from the +[Blue Obelisk Chemical Structures](http://chem-file.sourceforge.net/) set. +Where possible, optimized geometries are made available using the +[Pitt Quantum Repository](https://pqr.pitt.edu/) diff --git a/plugin.json b/plugin.json new file mode 100644 index 0000000..e243b8a --- /dev/null +++ b/plugin.json @@ -0,0 +1,7 @@ +{ + "author": "Geoffrey Hutchison", + "version": 1.0, + "name": "crystals", + "url": "https://github.com/openchemistry/crystals", + "description": "Set of over 500 common crystal structures.", +}