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CHANGELOG: rc.175 names --mr, which takes predicted and experimental models
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Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com>
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leonarski_fandClaude Opus 5.5 committed 2026-10-12 20:08:50 +02:00
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* Rugnux: Processing starts on the first images and confirms its choices once all are in, so analysis can begin during collection.
* Rugnux: Faster processing, especially on servers with several GPUs and CPU sockets.
* Rugnux: Better handling of twinning and pseudo-symmetry, with the twin hypothesis written as `<prefix>_twin_<SG>.mtz`, and a wrong `--model` no longer confirms the data or decides the hand.
* Rugnux: Experimental `--af-model` uses a predicted model to settle space group, hand and twinning, writing a different answer as `<prefix>_mr.mtz`.
* Rugnux: Experimental `--mr` places a predicted or experimental model by molecular replacement to settle space group, hand and twinning, writing a different answer as `<prefix>_mr.mtz`.
* Rugnux: Deposition-ready mmCIF, a richer report, and numbered steps on the terminal with the full log in `<prefix>_log.txt`; `_P1.mtz`, `--estimate-beam-center` and `--beam-center-search` are removed.
* Fixes: The TCP image pusher no longer blocks the broker's receiver, the master file appears only after its data files, GPU out-of-memory failures stop with a clear message, and the XDS plugin masks module and chip edges.