leonarski_f
90bbba33bc
The placed-model END block lost everything but the atoms, so the writer's _model.cif had no sequence references, authors, software or secondary structure, and gemmi relabelled the subchains. The block now also carries label_asym_id, label_entity_id and label_seq_id per atom and the input model's metadata as the mmCIF categories gemmi writes without coordinates (metadata_mmcif), which the writer parses with gemmi and puts back. The writer's _model.cif is now the same text as the one rugnux writes itself and as /rugnux/model.cif serves. Older blocks without the new fields are read as before. Test: a predicted myoglobin model through END -> CBOR -> writer gives byte-identical _model.cif/_model.pdb to WritePlacedModel and to PlacedModelMmcif, with its _struct_ref, _entity_poly_seq, _audit_author, _software and _struct_conf. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu (cherry picked from commit 29d752e6a107e3b8bc71ad6e9af0d81064966537)
Jungfraujoch
Application to receive and analyse data from the PSI JUNGFRAU and EIGER detectors, together with
rugnux, its program for processing stored diffraction data - rotation and serial, macromolecular
and small-molecule - from images to merged reflections.
All documentation is now placed in docs/ subdirectory and for the current version hosted on Jungfraujoch Read The Docs page.