#2096 closed defect (fixed)
amino-acid capping residues in polymer not classified as protein
| Reported by: | Elaine Meng | Owned by: | Eric Pettersen |
|---|---|---|---|
| Priority: | minor | Milestone: | |
| Component: | Structure Analysis | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
If possible, would be nicer if these residues when appearing as part of the polymer chain were classified as protein, and as backbone:
NH2 (e.g. 1g1p, 6nnv chain k)
NME (e.g. 1apv)
ACE (e.g. 3pob, in middle of cyclic peptide 6nnv chain k)
These can also appear as free ligands, for example PDB IDs see
http://www.rcsb.org/ligand/NH2
http://www.rcsb.org/ligand/NME
http://www.rcsb.org/ligand/ACE
Change History (4)
comment:1 by , 6 years ago
| Status: | assigned → accepted |
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comment:2 by , 6 years ago
| Resolution: | → fixed |
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| Status: | accepted → closed |
comment:3 by , 6 years ago
Oh, I see "backbone" includes NME atom C but not ACE atom CH3... they're both sort of honorary alpha-carbons, but the behavior is OK with me if there are technical reasons for omitting the latter, like the atom-name check is not residue-name-dependent.
comment:4 by , 6 years ago
Yes, there is no graph analysis for what is or isn't the backbone -- it's just if the atom name matches the known backbone atom names or not.
'protein' selector was easy to fix. 'backbone' selector already worked.