Import from other file formats

MOLDRAW can import a variety of different structure file format as described by the (File-->Import from...) menu or by bclicking the label Import on the toolbar:

The complete list of importable formats is:

•  Gaussian [G98/G03/G09] output files (*.out;*.log;*.qfi)
•  Gaussian [G98/G03/G09] input files (*.gjf;*.com)
•  CRYSTAL [CRY03/CRY06/CRY09] output files (*.out)
•  TURBOMOLE gradient files (*.txt)
•  ADF optimization files (*.out)
•  MOPAC [MOPAC2012] output files  (*.out)
•  HyperChem files (*.hin)
•  GULP compatible files (*.xtl)
•  GNXAS [FEFF] output files (*.inp)
•  Crystallographic Interchage Format [CIF] files (*.cif)
•  XMOL files (*.xyz)
•  Material Studio output files (*.res)
•  DISCOVER output files  (*.car)
•  Inorganic Crystallographic Structural Database [ICSD] files (*.cry)
•  Cambridge Structural Database [CSD] files (*.dat)
•  Protein Data Bank [PDB] files (*.pdb;*.pbd;*.ent)
•  Molecular Design Limited [MDL] files (*.mol;*.mdl)
•  XMOL multiple files (*.xyz)
•  GIN GULP input files (*.gin;*.glp)

Some formats are well tested (Gaussian, CRYSTAL, XMOL, CSD, CIF) whereas others (Turbomole, ADF, HyperChem, EXAFS) are less.

Please consider that because MDL and MOLDRAW share the same .MOL file extension to avoid overlapping of the imported file with the MOLDRAW one this latter has a _MDL token appended at the end of the original file name.

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