Dear Mr. Lee As Jmol is a sort of "molecule viewer" it has no possibility to model molecules. However you can search various of pre-modeled molecules e.g. at http://cdb.ics.uci.edu/cgibin/ChemicalSearchWeb.psp . Jmol can read different formats including.xyz, .mol , .mol2 and .pdb Alternatively you could try to model using ChemDraw or Freeware as ACD/ChemSketch
Regards, Maurice -----Ursprüngliche Nachricht----- Von: John Francis Lee [mailto:[email protected]] Gesendet: Dienstag, 17. August 2010 08:50 An: [email protected] Betreff: [Jmol-users] How to create jmol models Hi, Let me just blurt out my question : how can I make jmol models of molecules? Say I go to wikipedia and look up phenolphthalein. There I find IUPAC name : 3,3-bis(4-hydroxyphenyl)isobenzofuran-1(3H)-one CAS number : 77-09-8 SMILES : Oc1ccc(cc1)C3(OC(=O)c2ccccc23)c4ccc(O)cc4 Is any or all of this sufficient to model phenolphthalein in jmol? I looked at the wiki, expecting to find a whole section on how to do this, but I didn't recognize the instructions for doing so, if they're there. Thanks for any help you might give me. -- "This message may have been intercepted and read by U.S. government agencies including the FBI, CIA, and NSA and/or the present government of Thailand without notice or warrant or knowledge of sender or recipient." John Francis Lee 246/3 Thanon Kaew Wai Mueang Chiangrai 57000 Thailand ---------------------------------------------------------------------------- -- This SF.net email is sponsored by Make an app they can't live without Enter the BlackBerry Developer Challenge http://p.sf.net/sfu/RIM-dev2dev _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users ------------------------------------------------------------------------------ This SF.net email is sponsored by Make an app they can't live without Enter the BlackBerry Developer Challenge http://p.sf.net/sfu/RIM-dev2dev _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
