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RayMol 1.10.0

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@javierbq javierbq released this 24 Aug 19:07
· 418 commits to master since this release
v1.10.0
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Learn about vigilant mode.

RayMol 1.10.0

A feature release: on-device structure prediction, MSA search, per-tool
metrics, and a reworked Design mode selection model — plus a batch of
interface fixes.

Predict

  • Predict a structure right in RayMol. Tools ▸ Predict (or ⌃P) opens
    a bar where you type or select a sequence and fold it on-device with
    Boltz-2 or Protenix — no server round-trip, no export/import.
  • A live progress tray shows weight downloads and running predictions as
    stacked, dismissible cards, with a per-phase ETA.
  • Feed an MSA to a predictor as a declared capability; results load into
    a pending placeholder object you can inspect as it fills in.
  • Failed jobs stay on screen so you can see why, and retry.

Sequence search

  • Search a ColabFold MSA server, public or private, from inside RayMol —
    alignments come back as named, session-stored objects you can browse
    alongside your structures.

Metrics

  • Numbers a tool measures are kept with the object it measured.
    metrics_get / metrics_color surface per-chain and whole-object values
    (Boltz's pLDDT/PAE, for example) without leaving the object panel.

Design mode

  • Selection is now driven by sele, the same selection every other
    RayMol tool uses — pick residues in Design mode the same way you would
    anywhere else, and the two stay in sync.
  • Sidechains show by default on the design target, and the mode reports
    how many selected residues it's ignoring.
  • The old named-selection picker is gone — one selection model, not two.

Interface

  • Move, Measure and Design now live under one Tools menu.
  • Object groups render as a tree in the panel, instead of a flat list.
  • The console remembers its size. It now defaults to 1/5 of the window
    height, and your panel layout (console + inspector) persists across
    launches.
  • Cycle the selection mode with Tab / Shift+Tab.

Notes

  • Inserting no longer kicks you into Preview. Adding an image, view link
    or snippet leaves the editor in whichever mode you were working in.
  • View links show a thumbnail, so you can see where a link goes before
    following it.

Fixes

  • Label backgrounds, outlines and connectors render correctly again.
  • The object panel no longer stalls on large sessions with many objects.
  • A text selection wins over the viewport image on ⌘C.
  • Fixed: cancelling a weight download during unpacking wedged the card.
    The tray could stick at "Unpacking… 67%" forever, and every later download
    of that pack silently did nothing.
  • The prediction countdown says what it measures. A fold's estimate covers
    the current phase, so it now reads "this phase: 2 min left" instead of a
    bare "almost done" that looked like it described the whole run.

Built on the open-source PyMOL engine. Updates install automatically via the in-app updater (Check for Updates… in the app menu).

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