Chris, > I was using Jmol in a web page and recommended it to a colleague as an > alternative to accelrys ds/weblab viewer or chime as a tool to > communicate the results of docking calculations to synthetic chemists. Good.
> He had these questions: > > Does Jmol use proper 3D graphics? The current *development* version *does* have a 3D rendering engine. I recently posted some simple demo pages on the web, but they demonstrate some of the capabilities: http://jmol.sf.net/demo/atoms http://jmol.sf.net/demo/bonds http://jmol.sf.net/demo/trace For something a little more complicated take a look at the following. It is a small application that was auto-converted from chime using the chime2jmol.pl perl script (which is available in cvs, but is not yet generally released). http://jmol.sf.net/bwhite > The last time I saw it, it looked like > Xmol - good for publications but bad when you want to impress the > chemists. I think (hope) that this will do a better job of impressing the chemists ;-) > It would require several extensions: > mixed rendering, I don't know what you mean by 'mixed rendering' > hiding and showing molecules or parts of molecules, The development version of Jmol currently has almost all the capabilities of the RasMol/Chime scripting language. You can select specific atoms and change change colors & size, etc. > adding lines to indicate e.g. hydrogen bonds, In what context do you need to 'add' hydrogen bonds? The RasMol commands for 'monitor' are available and can be used to connect atoms. If other mechanisms are needed, and they seem to be general purpose, then I am sure we can fit them it. > and of course surfaces. of course *surfaces* is the thing that we do *not* yet have :-) We have dotted vanderWaals surfaces and dotted Connolly Solvent Accessible Surfaces, but no true isosurfaces yet. > Could anyone answer/address those please? I thought I saw something > about upcoming 3D graphics. Yep, well they are still upcoming. But take a look at the prerelease demos mentioned above and let us know what you think. Miguel ------------------------------------------------------- This SF.net email is sponsored by: SF.net Giveback Program. SourceForge.net hosts over 70,000 Open Source Projects. See the people who have HELPED US provide better services: Click here: http://sourceforge.net/supporters.php _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
