Engines

Burrete uses several preview paths. The route depends on the file type and the runtime surface.

Mol*

Mol* is the default interactive 3D path for most structure files, including PDB, CIF, BinaryCIF, MMTF, SDF, MOL, MOL2, XYZ, and GRO where supported by the runtime.

Use Mol* when you need interactive structure inspection and trajectory-aware controls.

RDKit grids

RDKit powers collection views for SDF, SMILES, CSV, and TSV files.

Use the grid when you need search, sorting, SMARTS filtering and highlighting, row selection, append and merge workflows, or export.

External xyzrender

xyzrender is an optional local executable used for artwork-style SVG rendering and format-specific fallback previews.

XYZ and several quantum-chemistry inputs can use xyzrender when the active renderer policy selects it. Burrete also has coordinate-conversion paths for ABI, COM, CUB/CUBE, FDF, FHIAIMS, GMS, IN/INP, LOG, NW/OUT, PSI4, QCIN, VASP, and XYZR, and a separate Maestro conversion path for MAE/MAEGZ/CMS. If conversion cannot produce coordinates, the external renderer remains the fallback rather than a silently fabricated structure.

Multi-frame XYZ files stay in Mol* when Burrete detects trajectory content so the native trajectory controls can show the available frames.

VESTA handoff

CUBE, CIF, MMCIF, MCIF, XYZ, and external-renderer input previews expose an optional VESTA handoff when VESTA is installed.

Calculation engines are separate

xTB, CREST, and PRISM are local calculation executables, not preview renderers. Burrete prepares bounded inputs, runs cancellable jobs, and opens reports and artifacts, while Mol*, RDKit, or the text viewer display their outputs.

• xTB calculations
• CREST and PRISM