File formats/LoadFormatPrefixes

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Forcing Jmol to read a file assuming a certain molecular file format

Jmol will read any file and try to determine its format from its content. The file extension is not taken into account for identifying the format. You can instruct Jmol as to which format to assume using this special command syntax:

load fileFormat::fileName

where fileName includes the path, the file name itself and the file extension; paths may be absolute or relative; a full URL may also be used.

Following is the list of fileFormat values (case-insensitive) recognized by Jmol:

MOL family PDB family CIF family PyMOL family Spartan family
  • mol
  • mol3D
  • xyz
  • pdb
  • pqr
  • p2n
  • JmolData
  • cif
  • cif2
  • mmcif
  • mmtf
  • magCif
  • PyMOL
  • Spartan
  • SpartanSmol
  • Odyssey
XML family Crystal family Quantum family 'Simple' family other
  • xmlArgus
  • xmlCml
  • xmlChem3d
  • xmlMolpro
  • xmlOdyssey
  • xmlXsd
  • xmlVasp
  • xmlQE
  • abinit
  • aims
  • Bilbao
  • castep
  • cgd
  • crystal
  • Dmol
  • Espresso
  • Gulp
  • Jana
  • Magres
  • ShelX
  • Siesta
  • VaspOutcar
  • VaspPoscar
  • Wien2k
  • Xcrysden
  • adf
  • csf
  • dgrid
  • GamessUK
  • GamessUS
  • Gaussian
  • GaussianFchk
  • GaussianWfn
  • Jaguar
  • Molden
  • MopacGraphF
  • GenNBO
  • NWChem
  • psi
  • Qchem
  • WebMO
  • MO (for xmlMolpro)
  • Alchemy
  • Ampac
  • Cube
  • FoldingXYZ
  • GhemicalMM
  • HyperChem
  • input
  • JME
  • JSON
  • Mopac
  • MopacArchive
  • Tinker
  • aflow
  • binaryDCD
  • Gromacs
  • JcampDX
  • mdCrd
  • mdTop
  • mol2
  • TlsDataOnly


Source: org/jmol/adapter/smarter/Resolver.java > Resolver (Source code)

Contributors

AngelHerraez