mosdef-hub / mbuild

A hierarchical, component based molecule builder
https://mbuild.mosdef.org
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SMILES string to Compound #31

Closed ctk3b closed 9 years ago

ctk3b commented 10 years ago

Generate a Compound object based on a SMILES string using pybel.

Tricky part appears to be easily installing pybel...

ctk3b commented 9 years ago

Not going to bother with this for now. CIRpy seems to provide a lot of what we're currently interested in