Patrick J. Carroll Director, X-ray Facility Department of Chemistry University of Pennsylvania Philadelphia, PA ------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
I agree with Egon that the inclusion of symmetry in Jmol
would be very useful to practicing crystallographers like myself. It
could be used to display and teach space group symmetry (take a look
at http://macxray.chem.upenn.edu/cells/cell457total.html) and to
investigate intermolecular attractions like hydrogen bonds (see
http://macxray.chem.upenn.edu/9178.html).
Also, to address a question about the LATT instruction in
SHELXL, I have prepared a PDF document that explains it
(http://macxray.chem.upenn.edu/LATT.pdf).
I would want the user to have as much control as possible. It
would be somewhat useful to have an option that just fills the unit
cell with the molecules, but each packing diagram investigation is
different and it would be desirable to be able to add a molecule at a
time by selecting a symmetry position and any necessary translations.
- [Jmol-users] Re: crystal structures and symmetry P.J. Carroll
