If you enter a structure file via the file selector box, it can be in any of
the major formats, including MDL Molfile (or SD files), PDB, JCAMP/CS,
CIF (Chiron interchange format, not Crystallographic formats), MDL RXN (Reaction file), RDF (Reaction Data File
format), XYZ, SMD4, SMD5, CTX, CACTVS (binary, ascii, cbase),
SMILES (including SMARTS subset), Compass, 441, Gaussian/Input, Gaussian/Archive,
SCF, SHEL-X, XTEL (XTELPlot input format), Cerius (Ascii exchange format of CeriusII Toolkit),
Sharc (SHift ARChives format), Alchemy, Hyperchem, Molconn-Z, Sybyl,
Sybyl2, SLN (Sybyl line notation). The structure source (smiles string on the
input field or data file) and the file format are automatically
As a third option, you can start a Java editor by clicking on the Start Editor button below the input field. You must use a WWW browser with Java support (Netscape, Internet Explorer) for this to work, and you must have Java enabled, which is an option in the browser configuration panel. A new window with a structure drawing application will open, or come to the top. Read the editor instructions on how to operate the program.
Take a look at our Example page.
3D atomic coordinates are computed, if not contained in the input file, by the algorithm of the CORINA program, which is used here as a dynamically loaded module.
We thank Peter Ertl from Novartis Crop Protection AG for kindly allowing us to use the JME molecular editor.
Please contact Frank Oellien, if you have any questions or comments.
Last Change: 2001-04-02, F. Oellien