This prototype page illustrates the reading of symmetry information in CIF files. See also the Jmol Crystal Symmetry Explorer.

• load quartz.cif;set showUnitCell on
standard load reads only the file data -- no symmetry applied
• load "quartz.cif" {2 2 2};set showUnitCell on
note that quotation marks REQUIRED when the number of unit cells is given
• load calcite.cif;set showUnitCell on
• load "calcite.cif" {3 2 1};set showUnitCell on;moveto 1.0 { -1000 6 -2 47.0} 100.0 0.0 0.0 {5.0491986 4.3727345 7.7310104}
• load maleic.cif;set showUnitCell on
• load "maleic.cif" {1,1,1};set showUnitCell on
note that this file has 13 models, each with a different unit cell
• set perspectiveDepth off
• select symmetry;color green # select only those atoms generated by symmetry operations
• select not symmetry;color yellow # select only the original atoms prior to symmetry operations
• frame 1
• frame next
• frame prev
an optional integer parameter right after the file name indicates WHICH model to load
• load "maleic.cif" 3 {2,2,2};set showUnitCell on
• show symmetry #list the space group and symmetry operators
• load "maleic.cif" 6 {1,1,1};set showUnitCell on
• load "team0104a.ccdc.cif" {1 1 1};set showunitcell
• set axesUnitCell;set axes 0.2
• load "kuds0105a.ccdc.cif" {1 1 1};set showunitcell
• load "nank0104a.ccdc.cif" {1 1 1};set showunitcell;connect 2.7 (chlorine) (hydrogen) hbond create
• load "sebi0105c.ccdc.cif" {1 1 1};set showunitcell;connect 2.7 (chlorine) (hydrogen) hbond create
• set showUnitCell off
• set perspectiveDepth on

[appletInfo] [animationInfo] [fileName] [fileHeader] [fileContents]
[atomList] [atomInfo] [bondInfo] [moleculeInfo] [extractModel]
[orientationInfo] [auxiliaryInfo] [transformInfo] [centerInfo] [boundboxInfo]
[modelInfo] [polymerInfo] [chainInfo] [shapeInfo] [stateInfo] [reload THIS orientation]

monitor: atomPicked fileLoaded fileLoadError frameChanged
measurePending measureCompleted measurePicked scriptStarted
scriptEcho scriptStatus scriptError scriptMessage
scriptTerminated userAction viewerRefreshed newOrientation
all none

Decoded: new window