[cctbxbb] 26-fold symm expansion of asu?

Alastair Fyfe afyfe at ucsc.edu
Mon Jul 21 14:14:56 PDT 2014


Hi,
I'd be grateful for any pointers to clipper or cctbx code that addresses 
the following: given a "brick" of map grid coordinates that enclose the 
asu, obtain the 26 symmetry-related "bricks" which contact it. 
Calculating this by successively generating symmetry mates and testing 
seems slow; I was wondering whether there was a better way.
thank you,
Alastair Fyfe
UCSC


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