File formats

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(A timid attempt to compile information on file format specifications. It's far from complete yet.)

(Gaussian) Cube format

Jmol reads Cube files.

Original from Gaussian software (Gaussian website).

Description of Cube Input and Cube Output formats: http://www.nersc.gov/nusers/resources/software/apps/chemistry/gaussian/g98/00000430.htm


Jmol Voxel (JVXL) format

Jmol reads and writes JVXL files.

Unique to Jmol, stores isosurface data.

Documented at http://www.stolaf.edu/academics/chemapps/jmol/docs/misc/JVXL-format.pdf


MOL and SD formats

Jmol reads MOL and SD files (and can write MOL files under some circumstances).

Original from Elsevier MDL.

Official document: http://www.mdl.com/downloads/public/ctfile/ctfile.pdf


PDB format

Jmol reads PDB files.

(Official Protein Data Bank document) Atomic Coordinate Entry Format Description: http://www.pdb.org/pdb/file_formats/pdb/pdbguide2.2/guide2.2_frame.html