Symmetry operations (SYMTRY)

• Introduction.
• Manipulating symmetry transformations
  • Initialization of the transformations (SYMINI)
  • Get space group symmetry (SYMSPG)
  • Manual input of a matrix and a vector (SYMINP)
  • Manual input of an international tables transformation (SYMIIT)
  • Deletion of transformations (SYMDEL)
  • Removing duplicate transformations (SYMRDU)
  • Transformations that generate molecules in the cell (SYMPIC)
  • Transformations that generate "touching" molecules (SYMNEA)
  • Selecting "touching" transformations (SYMDNT)
  • Restoring a set of saved transformations (SYMRES)
  • Saving the set of active transformations (SYMSAV)
• Checking symmetry transformations
  • Checking for closed group (SYMCGP)
  • Displaying the transformations (SYMSHO)
  • Non-integral rotations or other defects (SYMPNI)
• Applying transformations to the soup
  • Applying all transformations adding results to the soup (SOUSYM)
  • Applying one transformation adding results to the soup (SOUSM1)
  • Adding all molecules with center in the unit cell (SOUCEL)
  • Adding a shell around the molecule (SOUSHL)
  • Adding all residues in a rectangular box to the soup (SOUBOX)
  • Adding all residues in a sphere to the soup (SOUSPH)
  • Adding all residues around a specified residue (SOUSRS)
• Showing symmetry related residues in a MOL-item
  • Showing a set of symmetry related molecules (GRASYM)
  • Showing a symmetry related molecule (GRASM1)
  • Showing all molecules with center in the unit cell (GRACEL)
  • Showing a shell of residues around the molecule (GRASHL)
  • Showing residues in a rectangular box (GRABOX)
  • Showing all residues in a sphere (GRASPH)
  • Showing all residues around a specified residue (GRASRS)
• Cell dimensions
  • Show the unit cell (CELSHO)
  • Set/input the unit cell parameters (CELINP)
• Some other symmetry options
  • Input the space group symbol (SYMISG)
  • Locking symmetry matrices (LCKSYM)
  • Input the "touching" tolerance (SYMPAR)
  • Delete symmetric molecules from the soup (SYMDSM)
  • Use symmetry where possible (USESYM)
  • Contacts between symmetry related molecules (SYMANA)
  • Disambiguate cells using bump analysis (SYMAMB)
  • Accept conventional cell (CELAPP)
  • Check conventional cell for extra symmetry (CELNEW)
  • C-alpha only or full residues for GRA options (SYMGCA)
• Options that are not to be used
  • Check many cells (CELCKM)
  • Check symmetry in database (SYMDBA)
• Activating more commands (MORE)