Difference between revisions of "File formats"
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| − | (A timid attempt to compile information on file format specifications. | + | (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 ([http://www.gaussian.com/ Gaussian website]). | Original from Gaussian software ([http://www.gaussian.com/ Gaussian website]). | ||
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| − | = MOL | + | == 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 | ||
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| + | |||
| + | == MOL and SD formats == | ||
| + | Jmol reads MOL and SD files (and can write MOL files under some circumstances). | ||
| + | |||
Original from Elsevier MDL. | Original from Elsevier MDL. | ||
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| − | = PDB format = | + | == PDB format == |
| + | Jmol reads PDB files. | ||
| + | |||
(Official Protein Data Bank document) Atomic Coordinate Entry Format Description: | (Official Protein Data Bank document) Atomic Coordinate Entry Format Description: | ||
http://www.pdb.org/pdb/file_formats/pdb/pdbguide2.2/guide2.2_frame.html | http://www.pdb.org/pdb/file_formats/pdb/pdbguide2.2/guide2.2_frame.html | ||
Revision as of 18:13, 5 December 2006
(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
Contributors
AngelHerraez, NicolasVervelle, Mkubasik, Geoffr, Pimpim, Dandin1
