ihmwg / IHMCIF

📖 mmCIF support for hybrid/integrative models
https://pdb-dev.wwpdb.org
Creative Commons Zero v1.0 Universal
21 stars 3 forks source link

PDBDEV_00000001.cif has incorrect ihm_external_files data #68

Closed tomgoddard closed 6 years ago

tomgoddard commented 6 years ago

PDBDev entry 01 fails to open in ChimeraX giving an unknown file type error because of incorrect data in the ihm_external_files table. Specifically ihm_external_files rows 29-35 which are localization map files have reference_id 2 (in column 2) and instead it should be reference_id 5. Reference id 2 in defined in ihm_external_reference_info is https://zenodo.org/record/1218053/files/clus.1.aligned.dcd while reference id 5 is where the localization map files are found.

Entry validation should certainly verify that all external files exist.

tomgoddard commented 6 years ago

Has the fix to PDBDev 01 been pushed to the PDBDev web site? Kai Kammer reports it still does not open in ChimeraX.

brindakv commented 6 years ago

Yes, it is updated now.