Nico, > Can Jmol show a molecule having just a SMILES string ?
Yes, Jmol can do it, but 1. it relies on an external server being available (it does the calculation from smiles to 3D) 2. we need the signed applet for that (which is a concern for WP, since the Java security warning to load the signed applet may deter users) > If so, what are the commands that need to be executed ? load "$CCCNC" /the quotes may be omiited is the string is not conflictive) > I think we could add a syntax for Wikipedia where a user would simply have to > add something like > <smiles>XXXX</smiles> todisplay the molecule in Jmol. Maybe, to display a link that will open a popup or insert a DIV with Jmol > Also, can Jmol retrieve a molecular file using only an identifier (like > getting the molecule on the > pdbdatabase) ? Again, yes. From the PDB server using the PDB 4-character ID. Same concerns: signed applet, external server. Syntax is load "=1CRN" ------------------------------------------------------------------------------ Increase Visibility of Your 3D Game App & Earn a Chance To Win $500! Tap into the largest installed PC base & get more eyes on your game by optimizing for Intel(R) Graphics Technology. Get started today with the Intel(R) Software Partner Program. Five $500 cash prizes are up for grabs. http://p.sf.net/sfu/intelisp-dev2dev _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
