Model validation already made the anomalous difference map's coefficients ((F(+) - F(-)) on the model
phases less 90 degrees, where the merge kept the Bijvoet pairs) to read the anomalous sites, then threw
them away. They now go into the map coefficients as ANOM/PHANOM (phenix.maps' labels), missing on the
reflections without a pair, so _maps.mtz opens as an anomalous map in Coot. Nothing in scaling, merging
or the validation's decisions changes; a merge without the Bijvoet split writes the twelve columns as before.
The broker serves the map as /rugnux/map.ccp4?type=anom (404 without Bijvoet pairs), and
rugnux_live_status.anomalous_map says it is there. The Mol* viewer loads it only then, as a magenta mesh
at +4 sigma with its own level slider and switch.
Tests: ANOM/PHANOM appear with Bijvoet pairs (as many as the reported pairs) and not without; the served
anomalous map of a point peaks at it; the auth test covers type=anom. End to end (myoglobin 2M replay):
anomalous_map true, the served map equals gemmi's FFT of ANOM/PHANOM in the written _maps.mtz to 3.4e-6 rms.
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu
(cherry picked from commit c4d6ad74c706181cbb183cfcaa2481653cd7cad6)
/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