(:title File Formats:)

• t41 -- ADF Tape41 ASCII format [Read-only]

• t41 -- ADF Tape41 ASCIIformat [Read-only]

• t41 -- ADF Tape41 format [Read-only]

• zin -- ZINDO input format [Write-only]
• zmatrix -- Z-Matrix input [Read-only]

• cube -- Gaussian cube [Read-only] - Supports orthogonal bases only

• molden -- Molden input format [Read-only]

• cube -- Gaussian cube - Supports orthogonal bases only

Note that the main formats used for testing are pdb, xyz, cube, Gaussian and GAMESS output files.

Molekel supports the following file formats through OpenBabel and custom readers/writers.

File Formats

Molekel supports the following file format through OpenBabel and custom readers/writers. Note that the main formats used for testing are pdb, xyz, cube, Gaussian and GAMESS output files.

• alc -- Alchemy format
• bgf -- MSI BGF format
• box -- Dock 3.5 Box format
• bs -- Ball and Stick format
• c3d1 -- Chem3D Cartesian 1 format
• c3d2 -- Chem3D Cartesian 2 format
• caccrt -- Cacao Cartesian format
• cache -- CAChe MolStruct format [Write-only]
• cacint -- Cacao Internal format [Write-only]
• car -- Accelrys/MSI Biosym/Insight II CAR format [Read-only]
• ccc -- CCC format [Read-only]
• cht -- Chemtool format [Write-only]
• cmlr -- CML Reaction format
• com -- Gaussian 98/03 Cartesian Input [Write-only]
• copy -- Copies raw text [Write-only]
• crk2d -- Chemical Resource Kit 2D diagram format
• crk3d -- Chemical Resource Kit 3D format
• csr -- Accelrys/MSI Quanta CSR format [Write-only]
• cssr -- CSD CSSR format [Write-only]
• ct -- ChemDraw Connection Table format
• cube -- Gaussian cube
• dmol -- DMol3 coordinates format
• ent -- Protein Data Bank format
• feat -- Feature format
• fh -- Fenske-Hall Z-Matrix format [Write-only]
• fix -- SMILES FIX format [Write-only]
• fpt -- Fingerprint format [Write-only]
• fract -- Free Form Fractional format
• fs -- FastSearching Index
• g03 -- Gaussian98/03 Output [Read-only]
• g98 -- Gaussian98/03 Output [Read-only]
• gam -- GAMESS Output [Read-only]
• gamin -- GAMESS Input [Write-only]
• gamout -- GAMESS Output [Read-only]
• gau -- Gaussian 98/03 Cartesian Input [Write-only]
• gpr -- Ghemical format
• gr96 -- GROMOS96 format [Write-only]
• hin -- HyperChem HIN format
• inp -- GAMESS Input [Write-only]
• ns -- ShelX format [Read-only]
• jin -- Jaguar input format [Write-only]
• jout -- Jaguar output format [Read-only]
• mdl -- MDL MOL format
• mmd, mmod -- MacroModel format
• mol -- MDL MOL format
• mol2 -- Sybyl Mol2 format
• molden -- Molden input format
• mopcrt -- MOPAC Cartesian format
• mopout -- MOPAC Output format [Read-only]
• mpd -- Sybyl descriptor format [Write-only]
• mpqc -- MPQC output format [Read-only]
• mpqcin -- MPQC simplified input format [Write-only]
• msms -- Michel Sanner'MSMS input format [Write-only]
• nw -- NWChem input format [Write-only]
• nwo -- NWChem output format [Read-only]
• pc -- PubChem format [Read-only]
• pcm -- PCModel format
• pdb -- Protein Data Bank format
• pov -- POV-Ray input format [Write-only]
• pqs -- Parallel Quantum Solutions format
• prep -- Amber Prep format [Read-only]
• qcin -- Q-Chem input format [Write-only]
• qcout -- Q-Chem output format [Read-only]
• report -- Open Babel report format [Write-only]
• res -- ShelX format [Read-only]
• rxn -- MDL RXN format
• sd, sdf -- MDL MOL format
• smi -- SMILES format
• test -- Test format [Write-only]
• tmol -- TurboMole Coordinate format
• txyz -- Tinker MM2 format [Write-only]
• unixyz -- UniChem XYZ format
• vmol -- ViewMol format
• xed -- XED format [Write-only]
• xyz -- XYZ cartesian coordinates format
• yob -- YASARA.org YOB format
• zin -- ZINDO input format [Write-only]