Difference between revisions of "File formats"

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(A timid attempt to compile information on file format specifications. It's far from complete yet.)
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{{Jmol_Documentation_Sections}}
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(An attempt to compile information on file format specifications. It's not complete yet.)
  
== (Gaussian) Cube format ==
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Jmol [{{SVN Trunk}}Jmol-datafiles/ example/test data files] in all formats accepted.
Jmol reads Cube files.
 
  
Original from Gaussian software ([http://www.gaussian.com/ Gaussian website]).
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[[:en:Chemical_file_format|Chemical file formats]] on Wikipedia.
  
Description of Cube Input and Cube Output formats:
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[http://openbabel.sourceforge.net/wiki/Category:Formats File formats] on Open Babel.
http://www.nersc.gov/nusers/resources/software/apps/chemistry/gaussian/g98/00000430.htm
 
  
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Nice description of [http://reference.wolfram.com/mathematica/guide/3DGeometryAndModelingFormats.html 3D Geometry & Modeling Formats] by Wolfram Mathematica.
  
== Jmol Voxel (JVXL) format ==
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See the specific subsections:
Jmol reads and writes JVXL files.
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<div style="width:30ex;">
 
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{{File_Formats}}
Unique to Jmol, stores isosurface data.
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</div>
 
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<div style="clear:both;"></div>
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
 

Latest revision as of 22:56, 26 January 2020

Jmol + JSmol Documentation

(An attempt to compile information on file format specifications. It's not complete yet.)

Jmol example/test data files in all formats accepted.

Chemical file formats on Wikipedia.

File formats on Open Babel.

Nice description of 3D Geometry & Modeling Formats by Wolfram Mathematica.

See the specific subsections: