Supported Formats
The checked-in source of truth for format routing is config/preview-formats.json in the Burette repository. Burette 2.3.8 registers 31 format families and 118 unique extensions. Registration identifies the intended route; some paired or workflow artifacts are not meaningful as standalone structures.
Format families
| Path | Formats | Notes |
|---|---|---|
| Mol* interactive 3D | PDB, ENT, PDBQT, PQR, XPDB, CIF, MMCIF, MCIF, BCIF, MMTF, SDF, SD, MOL, MDL, MOL2, XYZ, GRO, MVSJ, MVSX | Main interactive path for directly supported structures and MolViewSpec scenes (including multi-state Stories). SDF can also use a collection grid; several text structures can switch or fall back to xyzrender. |
| Mesoscale viewer | MOLJ, MOLX, MESOZIP | Cell-scale crowded scenes open in a dedicated Mol* Mesoscale Explorer runtime; CellPack/Petworld-style CIF paths route there too. |
| Volume and reflection data | CCP4, MRC, MAP, MTZ | CCP4-family density maps use the native Mol* volume provider; MTZ amplitude/phase pairs produce 2Fo-Fc and signed Fo-Fc maps. |
| RDKit molecule grids | SDF, SD, SMILES, SMI, CSV, TSV, DWAR | Collection view with search, sorting, SMARTS filtering and highlighting, selection, append and merge, export, and native compute actions. DataWarrior structures decode locally through the bundled OpenChemLib runtime; CSV/TSV without molecule columns open as data tables. |
| Reactions and reaction data | RXN, RDF | Opens reaction-aware grid records with reactant/product depictions and database fields where present. |
| Coordinate conversion and xyzrender | ABI, COM, CUB, CUBE, FDF, FHIAIMS, GMS, IN, INP, LOG, NW, OUT, PSI4, QCIN, VASP, XYZR | Burette tries its coordinate conversion path for an interactive preview and can use the optional local xyzrender executable as a fallback or artwork renderer. |
| Molecular dynamics and topology | XTC, TRR, DCD, NCTRAJ, TNG, H5MD, GSD, TRZ, LAMMPSTRJ, MDCRD, NC/NetCDF, TOP, PSF, PRMTOP, TPR, and related registered extensions | Trajectories often require compatible coordinate/topology partners. Registration does not imply that every artifact is meaningful as a standalone structure. |
| Schrodinger structures | MAE, MAE.GZ, MAEGZ, CMS | Uses the Maestro conversion path for Mol* where possible, with explicit staged entries and an external-renderer fallback. |
| OpenMM coordinate artifacts | XML, INPCRD, RST7, RESTRT, CRD, RST, STATE | Render as structures when standalone coordinates can be extracted; otherwise remain inspectable workflow artifacts. |
| Workflow text and metadata | PAR, PRM, RTF, STR, KEY, CHK, CHECKPOINT, DMS, XVG, EDR, FASTA, FDEF, MSJ | Open as text or metadata rather than pretending every workflow file is a coordinate structure. |
| FEP network workspace | GraphML, EDGE | Opens a ligand network preview workspace rather than a standard molecule preview. |
| Pharmacophore | PH4 | Converts the pharmacophore model into a previewable Mol* representation. |
| Spectra | MS, MAGMA, MGF, MSP, MZML, MZXML | Opens the dedicated spectrum surface. |
Size limits
Quick Look has per-format size limits in the format registry. The desktop workspace can expose richer surfaces for larger or more complex files, but very large files may still require format-specific handling. Binary trajectories and paired topology/coordinate inputs need surface-specific testing; a registered document type alone is not proof of successful decoding on every platform.
Updating support
Format support is a contract surface. Changes must keep the registry, app metadata, Quick Look plists, and focused format tests in sync.