Atom class cannot access residues

Bugs item #2471854, was opened at 2008-12-27 17:42
Message generated for change (Tracker Item Submitted) made by Item Submitter
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: 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.

You can respond by visiting: