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DBViewer Vs 1.0

The applet below is reading a form of UGRIC (Universal GeneRalised Information for Chemistry) * - a form of SGML. For instructions on how to use the applet clic here

* Full details of the SGML will be available shortly

To use the Applet:

• To activate an entry double click a name in the top left hand corner menu list. If the entry has a molecule associated with it, the molecule will be displayed in the 2D or 3D molecule window (or both).
• To display Jcamp files click the relevant button or double click the NMR type in the menu provided (Only NMR and IR for the time being) after activating an entry. The button will grey out or the NMR type will be removed from the list if there is not a jcamp file available.
• The jcamp viewer will allow you to expand the view by mouse clicking and dragging. The 'zoom' button allow multiples expansions of the y axis and the 'reset' button sets the view to the original settings. Clicking the 'Get file' button downloads the jcamp file (you must load one first by activating an entry).
• Double clicking on either of the two molecule viewers will allow you to download the molecule coordinates. (For the time being, 3D coordinates are in Macromodel format (.dat) or MDLmol (.mol) and 2D coordinates are saved as MDLmol files).
• The 'Make Ugric' button takes you to the Authoring web page and the 'update' button will reset the applet to allow the reading of an updated database.
• The 'search' button does not function yet - Hopefully the next version of the applet will allow some basic text searching.

What you should see:

• V. Mckee.
  
  • An IR spectra is available in this entry. Experimental details, keywords and IR assignment are displayed in the text area.
  • No molecules are associated with this entry.
    

• apd049b.
  
  • A ¹H NMR and a 2D molecule are available.
    
• apd5009ab.
  
  • A ¹H NMR, a ¹³ C a 2D and a 3D molecule are available.
    

• apd5058f.
  
  • A ¹H NMR and a 2D molecule are available.
    

• clwa0019ii.
  
  • A ¹H NMR and a 2D molecule are available.
    

Things to do:

• Jcamp Viewer:
  • Allow multiple expansions.
  • Integration of spectra.
  • Active linking between spectra and molecule views - long term.
  
  

• Build bigger database.
• Introduce some Mass Spectra.
• Explore the possibilities for storing experimental details (so that CH3 looks like CH₃ etc.).
• Develop the DTD for the SGML file containing the data.

Bugs

• Molecule viewer does not work under MSIE 4 on a Macintosh (fine on PC).
  

Further Info

|Introduction|Database applet|MS applet|Authoring tools|Converter|Technical|Frames|

Daniel Chapman and Jonathan Goodman