Mercury can read these file formats:
- Molecules and crystals:
- Mercury binary crystal legacy files (.mry)
- Mercury compressed XML crystal files (.mryx)
- MOL files (.mol, .sd, .sdf, .mdl)
- Mol2 files (.mol2, .mol)
- PDB files (.pdb, .ent)
- Xmol files (.xyz)
- CIF files (.cif, .cmf)
- CSSR files (.cssr)
- SHELX files (.res, .ins)
- Searches and lists
- Refcode list (.gcd)
- ConQuest hits (.c2m)
- Motif searches (.msxml)
- Generated motifs (.gmxml)
- Motifs (.mxml)
- Data and analysis
- CSD-format databases (.csdsql, .csdsqlx .sqlite)
- Data analysis databases (.sqlite, .db)
- MOL2 file SQLite databases (.sqlmol2)
- CSD-SQL-ASER files (.sqlite .csdsql)
- CSD-SQL-FastBinary files (.sqlite .csdsqlx)
- CSD-XML files (.csdx)
- Comma-separated values (.csv)
- Tab-separated values (.txt, .tsv)
- MOPAC results file (.aux)
- Vista data files (.tab)
Mercury can export into these file formats:
- Molecules and Crystals
- Mercury compressed XML crystal files (.mryx)
- CSD-XML files (.csdx)
- MOL files (.mol, .sd, .sdf, .mdl)
- Mol2 files (.mol2, .mol)
- PDB files (.pdb .ent)
- Xmol files (.xyz)
- CIF files (.cif, .cmf)
- SHELX files (.res, .ins)
- Images and documents
- BMP files (.bmp)
- JPEG files (.jpg, .jpeg, .jpe, .jfif)
- PNG files (.png)
- POV-Ray files (.pov)
- TIFF files (.tiff)
- PDF files (.pdf)
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