Details
-
Type: Improvement
-
Status: In Progress
-
Priority: Major
-
Resolution: Unresolved
-
Affects Version/s: None
-
Component/s: Datamodel, Structures
-
Labels:
Description
The PDBe coordinate system (a.k.a. MSD numbering) refers to each distinct residue by its order (here distinct means a different resNum field, or a different insertion code).
Currently Jalview creates sequences from an imported PDB file which have a 'Start' property derived from an integer value extracted from the ResNum field of the first residue in each chain. This causes problems in the UI and for some positional calculations when the extracted start coordinate is 0 or less.
Recommendation: By default, Jalview should number sequences according to the PDBe numbering, which is a change in behaviour from previous versions. The ResNum and InsCode fields will still be visible via the PDBRESNUM features added to the sequence.
Attachments
Issue Links
- blocks
-
JAL-4486 secondary structure annotation not mapped correctly to sequence for some structures
- Open
-
JAL-2224 Structure's extracted sequence's start/end numbering misleading
- Open
-
JAL-3639 IntervalStore-v1.1 fails to find RESNUM 0 in 4IM2
- Open
-
JAL-2009 Support for residue insertion codes in PDB data
- In Progress
- related with
-
JAL-2780 PDB entries with negative residue numbers are incorrectly annotated
- Closed
-
JAL-2781 PDB entries with unobserved residues and negative residue numbers are incorrectly mapped
- Closed
-
JAL-1479 PDB<->Uniprot mappings from SIFTS
- Closed