Summary
This release provides primarily additional Macromolecule Hub functionality which includes adding support for user's in-house protein databases and providing an updated version of the PDB data within WebCSD.
Key Features
- Added the ability to register and search in-house protein databases
- In-house protein databases have additional 3D visualiser options to help identify protein ligand interactions
- Last modified dates displayed for PDB entries
- Provide an exclusion list for PDB entries not in the system
Bug Fixes
- General documentation and wiki improvements
- Login buttons in Lattice are no longer present after disabling user access control
- Fixed broken help link on WebCSD simple search page
- Fixed some ligands not being detected in PDB entries
- Renewed Prototype scripts
- Disabled incorrect hit highlighting for protein structures following a substructure search
- Fixed some docker containers not waiting for dependant containers to be healthy before sending requests
- Slimmed down container logging and limited the amount of disk space container logs can consume
Known Issues
- We have 98% coverage in the PDB database (see wiki for exclusion list)
- Navigating from Lattice to WebCSD requires two attempts
- The 3D visualiser's "cartoon" view will rarely not visualise some parts of the structure