Bugs item #2471854, was opened at 2008-12-27 17:42
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Category: None
Group: None
Status: Open
Resolution: None
Priority: 7
Private: No
Submitted By: Geoff Hutchison (ghutchis)
Assigned to: Marcus D. Hanwell (cryosuk)
Summary: Atom class cannot access residues
Initial Comment:
In the new framework, there’s no way to query an atom for its residue (or other fragments). This means that atom labels for residues don’t work (attached file) and the residue color cannot work. It will also be hard to implement a peptide builder.
I suspect each atom should have a QList which may be empty. Then its easy to query the fragments if they’re actually residues and cast to a Residue object.
This can still be done in the Molecule/OBMol conversions.
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