Version MK V

What's Changed

• Detection of torsion outliers detailed in:
  Dialpuri, Bagdonas, H., Atanasova, M., Schofield, L. C., Hekkelman, M. L., Joosten, R. P., & Agirre, J. (2023). Analysis and validation of overall N -glycan conformation in Privateer. Acta Crystallographica., 79(6), 462–472. https://doi.org/10.1107/S2059798323003510
• Enhanced SNFGs highlighting torsional outliers
• Detection of C-mannosylated tryptophans
• Squashed bugs

Full Changelog: R21223...MKV

v0.3.5

Full Changelog: WASM-0.3.4...moorhen-build-0.3.5

v0.3.4

Removed debug print from JSON parser.

v0.3.3

Removed offending SAJSON code

v0.3.2

Changed from sajson parser to simd json parser.

v0.2

Renamed bindings and removed code which relies on Gemmi < 0.6

R21223 - Integrative Structural Glycobiology (end of grant code delivery)

The development of infrastructure (H-bond, CH-Pi interaction detection) and methods (analysis of neighbours, glycan grafting code, library of idealised glycans, torsional analysis and validation of N-glycans) has been supported by the Integrative Structural Glycobiology grant (R21223, The Royal Society). This grant is coming to an end, so we have packed the source code and data to deliver them on the grant.

Version MK IV - released with CCP4 7.1

Replacement of openMP with std::async
Generation of WURCS string and cross-validation with GlyTouCan and GlyConnect
Closest match detection in GlyConnect
Minor bug fixes from MKIII, adoption of carbohydrate remediation standards.
Replaced nlohmann::json with sajson, that should hopefully now let Privateer MKIV build on MacOS 10.9 Mavericks.

Version MK III - released with CCP4 7.0

MKIII

X-code no longer used, so getting rid of its metastuff