[cctbxbb] Introducing arbitrary translations in symmetry operations
Emre S. Tasci
emre.tasci at ehu.es
Wed Jun 1 01:22:54 PDT 2011
Dear All,
We are trying to identify affine normalizers' space group from the
additional operators, but having difficulties in introducing the
arbitrary translations.
As an example, suppose that our "base" space group is 25, and the
additional operators are:
-x,-y,-z
x+1/2,y,z
x,y+1/2,z
x,y,z+t
which, combined, defines P1 mmm
But we couldn't find a way to introduce "x,y,z+t" while we are
"expand_smx"ing the space group with these operators.
Any ideas how to do this?
With my thanks in advance,
Emre
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Emre S. Tasci - http://www.emresururi.com
Fisica de la Materia Condensada
Facultad de Ciencia y Tecnologia
Universidad del Pais Vasco
Apartado 644
48080 Bilbao / Spain
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