-----BEGIN PGP SIGNED MESSAGE----- Hash: SHA1 On Wednesday 18 February 2004 20:48, Patrick J. Carroll wrote: > I have some example unit cells on my website with the Jmol applet: > > http://macxray.chem.upenn.edu/pack131.html > http://macxray.chem.upenn.edu/smith.html > http://macxray.chem.upenn.edu/cells/cell457.html > http://macxray.chem.upenn.edu/cells/cell9903.html > > That last one is very cool when you switch to 100% vanderWaals.
Yes, that gives you an excellent view of where the close contacts are! I noticed that yesterday too when looking at a COO- NH4+ contact... the hydrogen was nicely 'bonded' to both an oxygen and the nitrogen... BTW, the actual crystal I was looking at (f1.cephalo in Jmol HEAD) has partial charges... coloring by this gives a nice view too... And this raises my question: Would coloring by B factor be appreciated much? It's easy to add... Egon - -- [EMAIL PROTECTED] PhD on Molecular Representation in Chemometrics Nijmegen University http://www.cac.sci.kun.nl/people/egonw/ GPG: 1024D/D6336BA6 -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.0.7 (SunOS) iD8DBQFANGWTd9R8I9Yza6YRAmRqAJ0T89VYa7K2hoxjMxz1ZRyy3B1eTQCgo879 voowH9vU7fBDfO0ASQ/GfxE= =N1Q0 -----END PGP SIGNATURE----- ------------------------------------------------------- SF.Net is sponsored by: Speed Start Your Linux Apps Now. Build and deploy apps & Web services for Linux with a free DVD software kit from IBM. Click Now! http://ads.osdn.com/?ad_id56&alloc_id438&op=click _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
