r1 - 25 Aug 2006 - 22:46:48 - TWikiGuestYou are here: TWiki >  Main Web > CseoProducts > SmicarWiki > SmicarTutorials > SmicarLesson1

Lesson 1:  -- Export methane (CH4) in SMILE notation to Jmol

Procedure:

When SMICAR is initiated, this window will appear.

Smicar_window1.jpg

The SMILES notation for methane (CH4) is "C" thus "C" must be filled out in the feild " Enter SMILES String. The rule for SMILES notation can be found at http://www.daylight.com/dayhtml/doc/theory/theory.smiles.html

Smicar_window2.jpg

When the button "Submit" is clicked, a Jmol window will appear with the structure of methane

 Smicar-Jmol.jpg

Topic attachments
I Attachment Action Size Date Who Comment
jpgjpg Smicar_window1.jpg manage 12.0 K 29 Aug 2006 - 18:52 TWikiGuest Smicar
jpgjpg Smicar-Jmol.jpg manage 18.9 K 29 Aug 2006 - 18:52 TWikiGuest Smicar-Jmol
jpgjpg Smicar_window2.jpg manage 12.0 K 29 Aug 2006 - 18:52 TWikiGuest  
elseEXT ProjectPlannerPlugin manage 4.0 K 24 Apr 2007 - 05:50 UnknownUser  
Edit | WYSIWYG | Attach | Printable | Raw View | Backlinks: Web, All Webs | History: r1 | More topic actions
 
CSE-Online
This site is powered by the TWiki collaboration platformCopyright © by the contributing authors. All material on this collaboration platform is the property of the contributing authors.
Ideas, requests, problems regarding TWiki? Send feedback