[Jmol-developers] Is there a simple interface to the space group list? And elastic constant display?

[peter murray-r. <pm...@ca...>]

We are interested in determining (a) the symmetry operators for a 
given H-M spacegroup symbol and (b) looking up the spacegroup from 
operators. Do these facilities exist somewhere in the Jmol code (I 
remember Bob did a lot of work some time ago)?

Also I had a request today to display an elastic tensor - it's a 
quadratic form for a 6*6 matrix (I think), so it's more complex than 
an ellipsoid. Can anyone comment?

Many thanks,

P.



Peter Murray-Rust
Unilever Centre for Molecular Sciences Informatics
University of Cambridge,
Lensfield Road,  Cambridge CB2 1EW, UK
+44-1223-763069