Complete Molecule's interface with OBMol

Feature Requests item #2834142, was opened at 2009-08-08 13:38
Message generated for change (Tracker Item Submitted) made by mr_grieves
You can respond by visiting:

Please note that this message will contain a full copy of the comment thread,
including the initial issue submission, for this request,
not just the latest update.
Category: Commands / Extensions
Group: v 0.1.0
Status: Open
Resolution: None
Priority: 5
Private: No
Submitted By: Mr_Grieves (mr_grieves)
Assigned to: Marcus D. Hanwell (cryosuk)
Summary: Complete Molecule’s interface with OBMol

Initial Comment:
Before 1.0, setOBMol() and OBMol() should be able to completely import the obmol objects – generic data, conformers, energies, etc. The source mentions the idea of caching an OBMol and using it as an underlying data structure, such that Avogadro::Molecule simply wraps OpenBabel::OBMol. The latter may be the easiest (and more mantainable) approach.

You can respond by visiting: