Miguel wrote:
I have a very limited knowledge of fractional coordinates and space group
symmetry.
Oh, then you will really enjoy hexagonal coordinates!
-turning space-group designations into symmetry elements
I think that means 'transformations'
read: matrices
Here's the kind of function I like to see already present in open
source (if not Java) from
http://cci.lbl.gov/publications/download/iucrcompcomm_jan2003.pdf
That is great!
If it is open source then we can use the source as a reference and
reimplement in Java as a 'derived work' without violating IP rights.
no problem. (1) it's opensource (2) the copyright specifically
encourages just what we are doing
We'll see what "Ralf" says.
Bob
--
Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107
Professor of Chemistry, St. Olaf College
1520 St. Olaf Ave., Northfield, MN 55057
mailto:[EMAIL PROTECTED]
http://www.stolaf.edu/people/hansonr
"Imagination is more important than knowledge." - Albert Einstein
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