Supported File Types

Recognition is achieved through the file extension, which can also be used to filter directory listings.

If a read or write routine has not yet been implemented, this is represented with a '-'.

Recognized file type Read extensions Write extensions
ABINIT output (.abot, .about) -
AIMS input (.aims) (.aims)
Biosym/MSI/Accelrys (.arc, .car, .cor) (.car)
CASTEP output (.castep) -
CIF (.cif) (.cif)
CSSR (.cssr) (.cssr)
DLP (.dlp) (.dlp)
DL POLY (.dlpoly) (.dlpoly)
DMOL (.dmol) (.dmol)
GAMESS input (.inp) (.inp)
GAMESS output (.gmot, .gmout) -
GAUSSIAN input - (.com)
GAUSSIAN output (.log) -
GAUSSIAN cube file (.cube) -
GROMACS input (.gro) (.gro)
GULP input and restart (.gin, .res) (.gin, .res)
GULP output (.got, .gout) -
MARVIN input and restart (.mar, .mvn, .mvn-r) (.mar, .mvn, .mvn-r)
MARVIN output (.mot, .mvout, .mvnout) -
MOPAC output (.out) -
NWCHEM output (.nwot, .nwout) -
Protein DataBase (PDB) (.pdb) (.pdb)
POVRay scene description - (.pov)
PowderCell (.cel) -
Rietica (.inp) -
SIESTA input (.fdf) (.fdf)
SIESTA output (.sot, .sout) -
XML project description (.xml) (.xml)
XTL (.xtl) (.xtl)
XYZ (.xyz) (.xyz)