Complete list of new Jmol script/JavaScript functionality in 11.0 relative to 10.2. See http://www.stolaf.edu/academics/chemapps/jmol/docs for details. Some of these commands are not documented because they are intended for serialization only -- for the construction of a Jmol script describing the precise state of the applet or application. axes command bondOrder single|double|triple|hbonds # *undocumented; for serialization boundbox command calculate hbonds calculate structure calculate surface [distance|+distance|distance%] color altloc color halos color insertion color measures color molecule color selectionHalos .... color surfaceDistance conformation [n] console ON|OFF|CLEAR data command dipole command dots +x.x dots n% draw arrow draw line draw plane draw point echo "first line | second line | ...." exit [to stop all script execution and clear script queue] fractional coordinates frame play frame playrev frame prev frame range frank command geosurface command getproperty animationInfo getproperty appletInfo getproperty atomInfo getproperty auxiliaryInfo getproperty bondInfo getproperty boundBoxInfo getproperty centerInfo getproperty chainInfo getproperty dataInfo getproperty extractModel getproperty fileContents getproperty fileContents getproperty fileHeader getproperty fileName getproperty jmolStatus getproperty measurementInfo getproperty modelInfo getproperty moleculeInfo getproperty orientationInfo getproperty polymerInfo getproperty shapeInfo getproperty transformInfo halos ON/OFF halos n% halos x.y hbonds, cartoons: enhanced biomolecule DSSP hydrogen bond calculation help command hover "first line | second line | ...." if;else;endif; initialize # *undocumented; for serialization isosurface [atomic orbitals] isosurface [ellipsoids] isosurface [lcaoCartoon hybrid orbitals] isosurface [molecular orbitals] isosurface [spheres] isosurface [user-defined functions] isosurface JVXL file creation/reading javascript:jmolAppletAddParam() javascript:jmolDecodeJSON() javascript:jmolGetPropertyAsArray() javascript:jmolGetPropertyAsJavaObject() javascript:jmolGetPropertyAsJSON() javascript:jmolGetPropertyAsString() javascript:jmolGetStatus() javascript:jmolLoadAjax_MSA() javascript:jmolLoadAjax_STOLAF_ANY() javascript:jmolLoadAjax_STOLAF_RCSB() javascript:jmolLoadAjaxJS() javascript:jmolLoadInLine([array of model strings]) javascript:jmolLoadInlineScript() javascript:jmolRestoreOrientation() javascript:jmolRestoreOrientationDelayed() javascript:jmolSaveOrientation() javascript:jmolScriptWait() javascript:jmolScriptWaitAsArray() javascript:jmolSetAtomCoord() javascript:jmolSetAtomCoordRelative() javascript:jmolSetCallback() javascript:jmolSetLogLevel() label "first line | second line | ...." label formats: %A, %N, %o, %S, %u, %X, %Y, %Z lcaoCartoon command load "fileset" "file1.xyz" "file2.PDB" "file3.CIF" ... load "myfile.cif" n load "myfile.cif" {i j k} load "myfile.pdb" {i j k} spacegroup "[Hall Symbol]" load "myfile.pdb" {i j k} spacegroup "[H-M Symbol]" load "myfile.pdb" {i j k} spacegroup "[Jones-Faitful operator set]" load "myfile.xyz" {i j k} unitcell {a b c alpha beta gamma} load argusFile limited capability load CML expanded functionality load DOM node expanded functionality load file with embedded "#jmolscript:" load gamess output basis/orbital coefficients load gaussian output basis/orbital coefficients load spartan output basis/orbital coefficients load TRIPOS/SYBYL mol2 data file viewer support load Wavefunction Odyssey file viewer support load Wavefunction Spartan 06 file viewer support load WebMO file basis/orbital coefficients measure RANGE [min] [max] (atomset) (atomset) ..... measure all measure allConnected measure delete measure "some label format" measures off message command mo [JVXL file creation] mo color mo cutoff mo next mo noplane mo plane "xy" mo plane {1 1 1 0} mo prev mo resolution mo TITLEFORMAT mo translucent moveTo [time-sec] front|back|left|right|top|bottom pause pmesh inline polyhedra [# vertices] [basis] [selection sets] [display options] quit [to quit currently running script] restore bonds [name] restore orientation [name] [timeSeconds] restore selection [name] restore state [name] resume rotate -x rotate 10 $line1 rotate 20 (atomno=8) (atomno=10) rotate y 10 (atomno=4) rotate y 10 molecular (atomno=4) rotate/zoom enhancement of mouse action with SHIFT-LEFT (zoom/rotate) save bonds [name] save orientation [name] save selection [name] save state [name] select AL* # * wildcard for PDB group names select A* # * wildcard for non-PDB/mmCIF atom names and atom names for all file types select ({...}) # *undocumented; for serialization select BONDS ({...}) # *undocumented; for serialization select cell={1 j k} select cell=555 select molecule=n select PDB and mmCIF alternate location visualization select site=n select surfacedistance=xxx select symop=n select unitcell select fractionalCharge select [not] specialPosition select [not] symmetry select within(ELEMENT,expression) select within(MOLECULE,...) select within(SITE,expression) set [any parameter name] set animFrameCallback set appletProxy set axesMolecular set axesUnitCell set axesWindow set backgroundModel N set cartoonRockets set dataSeparator set defaultDirectory set defaultLoadScript set displayCellParameters set dotsSelectedOnly set dotSurface set echo all set echo none set echo myecho 50 100 set echo myecho {1/1 1/1 1/1};echo (1 1 1) set echo myecho (atomno=10) or (atomno=8);echo x set echo somename 30% 50% set forceAutoBond set fractionalCharge set frank set hermiteLevel [-8 to 8] set hideNotSelected set highResolution set history n set hovercallback set labelAtom set labelFront # no parameters set labelGroup # no parameters set labelPointer on/off/background set loadStructCallback set loglevel [0-5] set measureAllModels set measurements nm set measurements pm set measurements au set measurements Bohr set measturementNumbers set messagecallback set pickcallback set picking SELECT ELEMENT set picking SELECT MOLECULE set picking SELECT SITE set picking SPIN set pickingStyle MEASURE set pickingStyle MEASURE OFF set pickingStyle SELECT toggle set pickingStyle SELECT selectOrToggle set pickingStyle SELECT extendedSelect set rangeSelected set refreshing [false/true] # *undocumented; for serialization set ribbonAspectRatio n set showscript set scriptQueue set selectionHalos ON/OFF set sheetSmoothing [0 to 1] set showHiddenSelectionHalos set showAxes //deprecated -- see "axes" set showBoundBox //deprecated -- see "boundBox" set showSelections //deprecated -- see "set display" set showUnitcell //deprecated -- see "unitcell" set statusReporting set traceAlpha set zoomLarge show data "type" show draw show $drawObject show history show isosurface show measurements show mo show [any parameter name] show spacegroup show spacegroup "Pmmn" show state show symmetry show unitcell show url show url "url" spin -x spin 10 $axis1 spin 20 (atomno=8) (atomno=10) spin y 10 (atomno=4) spin y 10 molecular (atomno=4) subset *:C translateSelected command unitcell command write zap # allows echos and MUCH more zoom (atom) +|-delta zoom (atom) *|/factor zoomTo [time-sec] (atom) +|-delta zoomTo [time-sec] (atom) *|/factor