FAQs

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)