SgInfo - Space group Info


sginfo

On-line Documentation


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usage: sginfo [options] [SpaceGroupName_or_# [SpaceGroupName_or_#]]
  -Hall|VolA|VolI   select conventions
  -ListTable[=#]    print [parts of] internal table
  -CIF              print internal table in CIF format
  -XYZ              print something like "-x, y+1/2, z"
  -AllXYZ           print all symmetry operations
  -Maple            print symmetry matrices in Maple format
  -Space            print symmetry file for AVS SpaceModule
  -Shelx            print Shelx LATT & SYMM cards
  -Schakal          print Schakal DU & SY cards
  -hklList          print simple hkl listing
  -Standard         compute transformation to "standard" setting
  -UnitCell="a..g"  unit cell constants a, b, c, alpha, beta, gamma
  -v                be more verbose
  -Verify           debug option: verify transformations
  -ClearError       debug option: clear errors and continue

examples: sginfo 68
          sginfo C2/m:c2 -XYZ
          sginfo "Oh^3" -Shelx
          sginfo -Hall "-F 4y 2" -Standard
          sginfo -VolI 15 -VolA 15
          sginfo -ListTable=68

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Ralf W. Grosse-Kunstleve <rwgkio+sginfo@gmail.com>