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Builder crashes when opening a structure file (PDB, CAR, MVM, cube) in the List + detail layout (9.0.0-alpha.6) #238

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Description

@ohlincha

In 9.0.0-alpha.6 the Builder aborts when a structure file is opened while the panel layout is List + detail, which is the default for new installs: from the command line or with File > Open, for PDB, CAR, MVM and cube files, and XYZ after its units prompt. The log shows a throw from AbstractPropCalculation.C line 16 (getProperty) followed by an unhandled exception.

Cause: the property index header reads the total energy (getProperty("TE")) from every calculation except a new structure; structures read from a file throw NotImplementedException there.

Workaround for alpha.6: View > Panel layout > Classic, Stacked or Accordion. Opening calculations and Add Structure from File are not affected.

Fixed on main in c864d52 (7709459), with a regression check in tests/apps that opens a PDB in all four layouts and a CAR file. Found by the macOS start test on CI.

Activity

  1. ohlincha commented on Oct 6, 2026

    @ohlincha
    CollaboratorAuthor

    Fixed in c864d52; in the next release.

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