Mercurial > repos > marcel > caddsuite_mac10_6
diff CADDSuite-1.6/data/OpenBabel/space-groups.txt @ 8:dbb480e39d95 draft
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| author | marcel |
|---|---|
| date | Sat, 15 Dec 2012 13:15:46 -0500 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/CADDSuite-1.6/data/OpenBabel/space-groups.txt Sat Dec 15 13:15:46 2012 -0500 @@ -0,0 +1,9508 @@ +1 +P 1 +P 1 +x,y,z + +2 +-P 1 +P -1 +x,y,z +-x,-y,-z + +3 +P 2y +P 2,P 1 2 1 +x,y,z +-x,y,-z + +3 +P 2x +P 2 1 1 +x,y,z +x,-y,-z + +3 +P 2 +P 1 1 2 +x,y,z +-x,-y,z + +4 +P 2yb +P 21,P 1 21 1 +x,y,z +-x,1/2+y,-z + +4 +P 2xa +P 21 1 1 +x,y,z +1/2+x,-y,-z + +4 +P 2c +P 1 1 21 +x,y,z +-x,-y,1/2+z + +5 +C 2y +C 2,C 1 2 1 +x,y,z +-x,y,-z +1/2+x,1/2+y,z +1/2-x,1/2+y,-z + +5 +A 2y +A 1 2 1 +x,y,z +-x,y,-z +x,1/2+y,1/2+z +-x,1/2+y,1/2-z + +5 +I 2y +I 1 2 1 +x,y,z +-x,y,-z +1/2+x,1/2+y,1/2+z +1/2-x,1/2+y,1/2-z + +5 +A 2 +A 1 1 2 +x,y,z +-x,-y,z +x,1/2+y,1/2+z +-x,1/2-y,1/2+z + +5 +B 2 +B 1 1 2 +x,y,z +-x,-y,z +1/2+x,y,1/2+z +1/2-x,-y,1/2+z + +5 +I 2 +I 1 1 2 +x,y,z +-x,-y,z +1/2+x,1/2+y,1/2+z +1/2-x,1/2-y,1/2+z + +5 +B 2x +B 2 1 1 +x,y,z +x,-y,-z +1/2+x,y,1/2+z +1/2+x,-y,1/2-z + +5 +C 2x +C 2 1 1 +x,y,z +x,-y,-z +1/2+x,1/2+y,z +1/2+x,1/2-y,-z + +5 +I 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