Mercurial > repos > marcel > caddsuite_mac10_6
diff CADDSuite-1.0.1/data/XRAY/spacegroups.dat @ 5:e30a41af9d2b
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| author | marcel |
|---|---|
| date | Tue, 15 Nov 2011 10:53:16 -0500 |
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| children |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/CADDSuite-1.0.1/data/XRAY/spacegroups.dat Tue Nov 15 10:53:16 2011 -0500 @@ -0,0 +1,4926 @@ +P 1 1 +(X,Y,Z) + +P 1- 2 +(X,Y,Z) +(-X,-Y,-Z) + +P -1 2 +(X,Y,Z) +(-X,-Y,-Z) + +P 2 2 +(X,Y,Z) +(-X,Y,-Z) + +P 1 21 1 2 +(X,Y,Z) +(-X,Y+1/2,-Z) + +P 21 2 +(X,Y,Z) +(-X,Y+1/2,-Z) + +C 1 2 1 4 +(X,Y,Z) +(-X,Y,-Z) +(1/2+X,1/2+Y,Z) +(1/2-X,1/2+Y,-Z) + +C 2 4 +(X,Y,Z) +(-X,Y,-Z) +(1/2+X,1/2+Y,Z) +(1/2-X,1/2+Y,-Z) + +P M 2 +(X,Y,Z) +(X,-Y,Z) + +P C 2 +(X,Y,Z) +(X,-Y,1/2+Z) + +C M 4 +(X,Y,Z) +(X,-Y,Z) +(1/2+X,1/2+Y,Z) +(1/2+X,1/2-Y,Z) + +C C 4 +(X,Y,Z) +(X,-Y,1/2+Z) +(1/2+X,1/2+Y,Z) +(1/2+X,1/2-Y,1/2+Z) + +P 2/M 4 +(X,Y,Z) +(X,-Y,Z) +(-X,Y,-Z) +(-X,-Y,-Z) + +P 21/M 4 +(X,Y,Z) +(-X,1/2+Y,-Z) +(-X,-Y,-Z) +(X,1/2-Y,Z) + +C 2/M 8 +(X,Y,Z) +(X,-Y,Z) +(-X,Y,-Z) +(-X,-Y,-Z) +(1/2+X,1/2+Y,Z) +(1/2+X,1/2-Y,Z) +(1/2-X,1/2+Y,-Z) +(1/2-X,1/2-Y,-Z) + +P 2/C 4 +(X,Y,Z) +(-X,Y,1/2-Z) +(-X,-Y,-Z) +(X,-Y,1/2+Z) + +P 21/C 4 +(X,Y,Z) +(-X,-Y,-Z) +(-X,1/2+Y,1/2-Z) 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