leonarski_f
15ca4b329f
A rugnux live run that placed a model keeps it, with a copy of its map coefficients, beside the live status (RugnuxStructure), for as long as /rugnux/status keeps the run. Made in memory on the first request and cached, never written to disk: - GET /rugnux/model.cif: the placed model as mmCIF, labelled as WritePlacedModel labels _model.cif (PlacedModelMmcif, the labelling factored out of WritePlacedModel; the file output is unchanged). - GET /rugnux/map.ccp4?type=2fofc|fofc: the 2mFo-DFc / mFo-DFc map as a CCP4 map, FFT of the FWT/PHWT or DELFWT/PHDELWT coefficients (get_f_phi_on_grid + MapFromFPhi, sampled as ModelValidation samples), cut to the box around the model plus 5 A, with the whole cell's mean and RMS in the header. - 404 without a placed model or maps, 400 for an unknown map type; both routes protected by the dataset bearer token like /rugnux/status. rugnux_live_status gets placed_model. C++ model, python client docs, TypeScript client and redoc regenerated. Tests: a point's coefficients give a map peaking at the atom in a cropped box; the mmCIF; the structure is cleared at the next start; the auth test covers the new routes. End to end (myoglobin 2M replay with an AlphaFold model): the maps equal gemmi's FFT of the written _maps.mtz to 2.5e-6 rms. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu (cherry picked from commit 33124c3288ba112def3f51c0d91f5206886f3495)
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.