/rugnux/map.ccp4 now serves one unit cell of map, centred on the model, instead of the model's box plus
5 A; along an axis where the model reaches further than the cell (a predicted model with long termini
in a small cell), the model plus 5 A instead, so that all of it has density. The Mol* viewer opens on
the whole cell and the model (map radius 0); a radius still draws the maps only around the centre of
view, Coot-style.
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu
(cherry picked from commit 1c1e1d96359f112d6820d972005e9f7eca4ebd50)
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)
leonarski_f