Hi, Does anyone know how to decode the site symmetry and the symmetry constraints on the positional and thermal parameters from the old A. Larsons Space Group Code. The new code, as used in CMPR, does not have these old routines, but the old version had a subroutine called SYMOPR that coded this information into a large integer (depending on the xyz you gave). To extract it one would presumably use a combination on IAND's, MOD's and /'s. If anyone has this information could you email me or the list. Thanks Best Regards Brett +-----------------------------------------------------------+ Dr Brett Hunter Building 58 ANSTO Private Mail Bag 1 Menai, NSW 2234 Australia Work: 61-2-9717-3338 Fax: 61-2-9717-3606 email: [EMAIL PROTECTED] +-----------------------------------------------------------+
