Is there a Chem3D ActiveX Control Reference?

Is there a Chem3D ActiveX Control Reference?

Chem3D ActiveX Conctrol - Reference

Chem3D ActiveX Control Reference

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A | C | F | G | S (select | set | show) | P | R

AboutBox atomFill atomSize *clear colorBy fitAllFramesToWindow fitModelToWindow getBondLength getBondAngle getData getDihedral getDisplayType getMolecularOrbitalSurfaceCount getMolecularOrbitalSurfaces getSolventProbeRadius *getVersion select selectMolecularOrbitalSurface setAtomDotSurfaceDensity setBackgroundColor setChargeDensityColor setChargeDensityOrbitaltoMap setChargeDensityPropertyMapping setChargeDensitySurfaceFill setConnollySurfaceFill setConnollySurfaceColor setConnollySurfaceColorBy setDisplayType

setMEPSurfaceColor setMEPSurfaceFill setMolecularOrbitalSurfaceColor setMolecularOrbitalSurfaceFill setSolventAccessSurfaceColor setSolventAccessSurfaceColorBy setSolventAccessSurfaceFill setSolventProbeRadius setSpinDensitySurfaceColor setSpinDensitySurfaceFill showAtomDotSurface showAtomLabels showAtomNumber showChargeDensityPropertyMap showChargeDensitySurface showConnollySurface showHydrogens showMEPSurface showMolecularOrbitalSurface showMovieController showRotationbars showSolventAccessSurface showSpinDensitySurface spin putData reflect rotate * New function at Chem3D 8.0

 

AboutBox()
Description
	Show the About Box of Chem3D ActiveX Control.
Parameters
	None
Return
	None

see also: | back to index

 

atomFill(style)
Description
	Not supported any more
Parameters
Return

see also: atomSize | back to index

 

atomSize(style)
Description
	Not supported any more
Parameters
	style - 0: size by element type;  1 - size by partial charge of atoms
Return
	None

see also: atomFill | back to index

 

clear()
Description
	Clear the all objects in Chem3D ActiveX window
Parameters
	None
Return
	None

see also: | back to index

 

colorBy(style)
Description
	Set the color mode of displayed objects
Parameters
	style -   0: color by element type             1: color by group type             2: color by charge of atoms             3: color by chain             4: color by Z-depth of objects
Return
	None

see also: | back to index

 

fitAllFramesToWindow()
Description
	Fit the model size in all frames to the window size.
Parameters
	None
Return
	None

see also: fitModelToWindow | back to index

 

fitModelToWindow()
Description
	Fit the model size in the current frame to the window size.
Parameters
	None
Return
	None

see also: fitAllFrameToWindow | back to index

 

getBondLength(atom1, atom2)
Description
	Get the bond length of the bond connected by atom1 and atom2.  If both atom1 and atom2 are 0, the first two selected atoms are applied.
Parameters
	atom1 - the atom serial number of the first atom connected the bond atom2 - the atom serial number of the second atom connected the bond
Return
	The bond length, a number, is returned, if the the bond exists.  Or 0 is returned.

see also: getBondAngle, getDihedral | back to index

 

getBondAngle(sideatom1, vertexatom, sideatom2)
Description
	Get the angle between the bond connected by sideatom1 and vertexatom and bond connected by sideatom2 and vertexatom.  If all sideatom1, sideatom1 and vertexatom   are 0, the first three selected atoms are applied.
Parameters
	sideatom1  - the atom serial number of the first side atom of the angle vertexatom - the atom serial number of the vertex atom of the angle sideatom2  - the atom serial number of the second atom of the angle
Return
	The angle value in degree is returned, if the the three atoms exist.  Or 0 is returned.

see also: getBondLength, getDihedral | back to index

 

getData(mimetype)
Description
	Get the model data by its mime type
Parameters
	mimetype - a string.  It can be anyone listed below: mime type data meanings chemical/x-chem3d Chem3D molecular model chemical/chem3d Chem3D molecular model chemical/x-cdx ChemDraw file format chemical/x-alchemy Alchemy chemical/x-cart1 Cart Coods 1 chemical/x-cart2 Cart Coods 2 chemical/x-ccdb CCDB chemical/x-gaussian-input Gaussian Input chemical/x-gaussian-checkpoint Gaussian Checkpoint chemical/x-gaussian-cube Gaussian Cube* chemical/x-gamess-input Gamess Input chemical/x-internal   chemical/x-macromodel-input MacroModel chemical/x-mdl-molfile MDL MolFile chemical/x-msimolfile MSI ChemNote chemical/x-mopac-input MOPAC Input File chemical/x-mopac-graph MOPAC Graph file* chemical/x-pdb Protein Data Bank chemical/pdb Protein Data Bank chemical/x-mmcif macromolecular CIF chemical/x-sybylmol Sybyl chemical/x-sybylmol2 Sybyl 2
Return
	String format data.

see also: putData | back to index

 

getDihedral(sideatom1, vertexatom1, vertexatom2, sideatom2)
Description
	Get the angle between the plane composed by sideatom1, vertexatom1 and vertexatom2 and plane composed by sideatom2, vertexatom1 and vertexatom2 .  If all sideatom1, sideatom1, vertexatom1 and  vertexatom2 are 0, the first four selected atoms are applied.
Parameters
	sideatom1    - the atom serial number of the first side atom vertexatom1 - the atom serial number of the first vertex atom vertexatom2 - the atom serial number of the second vertex atom sideatom2    - the atom serial number of the second atom
Return
	The angle value in degree is returned, if the the four atoms exist.  Or 0 is returned.

see also: getBondLength, getBondAngle | back to index

 

getDisplayType()
Description
	Get the current display type of model
Parameters
	None
Return
	0 - Wire Frame 1 - Sticks 2 - Ball and Sticks 3 - Cylindrical Bonds 4 - Space Filling 5 - Ribbons 6 - Cartoons

see also: setDisplayType | back to index

 

getMolecularOrbitalSurfaceCount()
Description
	Get the molecular orbital surface count
Parameters
	None
Return
	Number

see also: | back to index

 

getMolecularOrbitalSurfaces(orbitals)
Description
	Not supported
Parameters
Return

see also: | back to index

 

getSolventProbeRadius()
Description
	Get the solvent probe radius
Parameters
	None
Return
	Number

see also: setSolventProbeRadius | back to index

 

getVersion()
Description
	Get the solvent probe radius
Parameters
	None
Return
	A string of the version of Chem3D ActiveX control,  e.g.  Chem3D Std Control 8.0.d239

see also: | back to index

 

select(atom, selectedflag)
Description
	Set or remove the atom's selected flag
Parameters
	atom         - the user serial number of atom seletedflag - selected or non-selected: Yes/No or 1/0
Return
	None

see also: selectMolecularOrbitalSurface | back to index

 

selectMolecularOrbitalSurface(orbitalnumber)
Description
	Select some orbital surface
Parameters
	orbitalnumber - an 1-base number, the orbital surface number to be selected.
Return
	None

see also: select | back to index

 

setAtomDotSurfaceDensity(density)
Description
	Set the density of the atom dot surface
Parameters
	density - a number between 1 and 100
Return
	None

see also: showAtomDotSurface | back to index

 

setBackgroundColor(red, green, blue)
Description
	Set the background color of the displaying window
Parameters
	red    - the red component of background color greed - the green component of background color blue   - the blue component of background color
Return
	None

see also: | back to index

 

setChargeDensityColor(red, green, blue)
Description
	Set the color of atoms' charge density
Parameters
	red    - the red component of color green - the green component of color blue   - the blue component of color
Return
	None

see also: setChargeDensityOrbitaltoMap, setChargeDensityPropertyMapping, setChargeDensitySurfaceFill, showChargeDensityPropertyMap, showChargeDensitySurface | back to index

 

setChargeDensityOrbitaltoMap(orbital)
Description
Parameters
Return

see also: setChargeDensityColor, setChargeDensityPropertyMapping, setChargeDensitySurfaceFill, showChargeDensityPropertyMap, showChargeDensitySurface | back to index

 

setChargeDensityPropertyMapping(mapmode)
Description
	Set the mapping mode of charge density surface
Parameters
	mapmode: 0 - solid color                  1 - orbital                  2 - spin density                  3 - potential                  4 - partial charge
Return
	None

see also: setChargeDensityColor, setChargeDensityOrbitaltoMap, setChargeDensitySurfaceFill, showChargeDensityPropertyMap, showChargeDensitySurface | back to index

 

setChargeDensitySurfaceFill(fillstyle)
Description
	Set the filling style of charge density surface
Parameters
	fillstyle: 0 - solid surface             1 - wire frame surface             2 - dot surface             3 - translucent surface
Return
	None

see also: setChargeDensityColor, setChargeDensityOrbitaltoMap, setChargeDensityPropertyMapping, showChargeDensityPropertyMap, showChargeDensitySurface | back to index

 

setConnollySurfaceFill(style)
Description
	Set the filling style of connolly surface
Parameters
	fillstyle: 0 - solid surface             1 - wire frame surface             2 - dot surface             3 - translucent surface
Return
	None

see also: setConnollySurfaceColor, setConnollySurfaceColorBy, showConnollySurface | back to index

 

setConnollySurfaceColor(red, green, blue)
Description
	Set the color of connolly surface
Parameters
	red    - the red component of color green - the green component of color blue   - the blue component of color
Return
	None

see also: setConnollySurfaceFill, setConnollySurfaceColorBy, showConnollySurface | back to index

 

setConnollySurfaceColorBy(colormode)
Description
	Set the color mode of connolly surface
Parameters
	colormode: 0 - solid color                   1 - orbital                   2 - spin density                   3 - potential                   4 - partial charge
Return
	None

see also: setConnollySurfaceFill, setConnollySurfaceColor, showConnollySurface | back to index

 

setDisplayType(displaytype)
Description
	Set the display type of model
Parameters
	displaytype: 0 - Wire Frame                    1 - Sticks                    2 - Ball and Sticks                    3 - Cylindrical Bonds                    4 - Space Filling                    5 - Ribbons                    6 - Cartoons
Return
	None

see also: getDisplayType | back to index

 

setMEPSurfaceColor(phase, red, green, blue)
Description
	Set the color of MEP(Molecular Electrostatic Potential) surface
Parameters
	phase - 0: negative phase;  1: positive phase red    - the red component of color green - the green component of color blue   - the blue component of color
Return
	None

see also: setMEPSurfaceFill, showMEPSurface | back to index

 

setMEPSurfaceFill(fillstyle)
Description
	Set the filling style of MEP(Molecular Electrostatic Potential) surface
Parameters
	fillstyle: 0 - solid surface             1 - wire frame surface             2 - dot surface             3 - translucent surface
Return
	None

see also: setMEPSurfaceColor, showMEPSurface | back to index

 

setMolecularOrbitalSurfaceColor(node, red, green, blue)
Description
	Set the color of molecular orbital surface
Parameters
	noe   - 0: alpha phase;  1: beta phase red    - the red component of color green - the green component of color blue   - the blue component of color
Return
	None

see also: setMolecularOrbitalSurfaceFill, showMolecularOrbitalSurface | back to index

 

setMolecularOrbitalSurfaceFill(filltyle)
Description
	Set the filling style of molecular orbital surface
Parameters
	fillstyle: 0 - solid surface             1 - wire frame surface             2 - dot surface             3 - translucent surface
Return
	None

see also: setMolecularOrbitalSurfaceColor, showMolecularOrbitalSurface | back to index

 

setSolventAccessSurfaceColor(red, green, blue)
Description
	Set the color of solvent acess surface
Parameters
	red    - the red component of color green - the green component of color blue   - the blue component of color
Return
	None

see also: setSolventAccessSurfaceColorBy, setSolventAccessSurfaceFill, showSolventAccessSurface | back to index

 

setSolventAccessSurfaceColorBy(colormode)
Description
	Set the color mode of solvent access surface
Parameters
	colormode: 0 - solid color                   1 - orbital                   2 - spin density                   3 - potential                   4 - partial charge
Return
	None

see also: setSolventAccessSurfaceColor, setSolventAccessSurfaceFill, showSolventAccessSurface | back to index

 

setSolventAccessSurfaceFill(fillstyle)
Description
	Set the filling style of solvent access surface
Parameters
	fillstyle: 0 - solid surface             1 - wire frame surface             2 - dot surface             3 - translucent surface
Return
	None

see also: setSolventAccessSurfaceColor, setSolventAccessSurfaceColorBy, showSolventAccessSurface | back to index

 

setSolventProbeRadius(radius)
Description
	Set the radius of solvent access surface
Parameters
	radius - a number between 0 - 10.0
Return
	None

see also: getSolventProbeRadius | back to index

 

setSpinDensitySurfaceColor(red, green, blue)
Description
	Set the color of spin density surface
Parameters
	red    - the red component of color green - the green component of color blue   - the blue component of color
Return
	None

see also: setSpinDensitySurfaceFill, showSpinDensitySurface | back to index

 

setSpinDensitySurfaceFill(fillstyle)
Description
	Set the filling style of spin density surface
Parameters
	fillstyle: 0 - solid surface             1 - wire frame surface             2 - dot surface             3 - translucent surface
Return
	None

see also: setSpinDensitySurfaceColor, showSpinDensitySurface | back to index

 

showAtomDotSurface(flag)
Description
	Show or hide the atoms' dot surfaces
Parameters
	flag - Yes/No, 1/0.  Yes or 1 for showing, and No or 0 for hiding
Return
	None

see also: setAtomDotSurfaceDensity, showAtomLabels, showAtomNumber, showHydrogens | back to index

 

showAtomLabels(flag)
Description
	Show or hide the atoms' labels
Parameters
	flag - Yes/No, 1/0.  Yes or 1 for showing, and No or 0 for hiding
Return
	None

see also: showAtomDotSurface, showAtomNumber, showHydrogens | back to index

 

showAtomNumber(flag)
Description
	Show or hide the atoms' serial number
Parameters
	flag - Yes/No, 1/0.  Yes or 1 for showing, and No or 0 for hiding
Return
	None

see also: showAtomDotSurface, showAtomLabels, showHydrogens | back to index

 

showChargeDensityPropertyMap(flag)
Description
	Show or hide the charge density property mapping surface
Parameters
	flag - Yes/No, 1/0.  Yes or 1 for showing, and No or 0 for hiding
Return
	None

see also: setChargeDensityColor, setChargeDensityOrbitaltoMap, setChargeDensityPropertyMapping, setChargeDensitySurfaceFill, showChargeDensitySurface | back to index

 

showChargeDensitySurface(flag)
Description
	Show or hide the charge density surface
Parameters
	flag - Yes/No, 1/0.  Yes or 1 for showing, and No or 0 for hiding
Return
	None

see also: setChargeDensityColor, setChargeDensityOrbitaltoMap, setChargeDensityPropertyMapping, setChargeDensitySurfaceFill, showChargeDensityPropertyMap | back to index

 

showConnollySurface(flag)
Description
	Show or hide the connolly surface
Parameters
	flag - Yes/No, 1/0.  Yes or 1 for showing, and No or 0 for hiding
Return
	None

see also: setConnollySurfaceFill, setConnollySurfaceColor, setConnollySurfaceColorBy | back to index

 

showHydrogens(flag)
Description
	Show or hide the hydrogen atoms
Parameters
	flag - Yes/No, 1/0.  Yes or 1 for showing, and No or 0 for hiding
Return
	None

see also: showAtomDotSurface, showAtomDotSurface, showAtomLabels | back to index

 

showMEPSurface(flag)
Description
	Show or hide the MEP (Molecular Electrostatic Potential) surface
Parameters
	flag - Yes/No, 1/0.  Yes or 1 for showing, and No or 0 for hiding
Return
	None

see also: setMEPSurfaceColor, setMEPSurfaceFill | back to index

 

showMolecularOrbitalSurface(flag)
Description
	Show or hide the molecular orbital surface
Parameters
	flag - Yes/No, 1/0.  Yes or 1 for showing, and No or 0 for hiding
Return
	None

see also: setMolecularOrbitalSurfaceColor, setMolecularOrbitalSurfaceFill | back to index

 

showMovieController(flag)
Description
	Show or hide the movie control bar
Parameters
	flag - Yes/No, 1/0.  Yes or 1 for showing, and No or 0 for hiding
Return
	None

see also: showRotationbars | back to index

 

showRotationbars(flag)
Description
	Show or hide the rotation bar
Parameters
	flag - Yes/No, 1/0.  Yes or 1 for showing, and No or 0 for hiding
Return
	None

see also: showMovieController | back to index

 

showSolventAccessSurface(flag)
Description
	Show or hide the solvent access surface
Parameters
	flag - Yes/No, 1/0.  Yes or 1 for showing, and No or 0 for hiding
Return
	None

see also: setSolventAccessSurfaceColor, setSolventAccessSurfaceColorBy, setSolventAccessSurfaceFill | back to index

 

showSpinDensitySurface(flag)
Description
	Show or hide the spin density surface
Parameters
	flag - Yes/No, 1/0.  Yes or 1 for showing, and No or 0 for hiding
Return
	None

see also: setSpinDensitySurfaceColor, setSpinDensitySurfaceFill | back to index

 

spin(axis)
Description
	Spin the model around some axis
Parameters
	axis: 1 - X axis         2 - Y axis         3 - Z axis
Return
	None

see also: | back to index

 

putData(mimetype, data)
Description
	Set new model data to the control
Parameters
	mimetype - a string.  It can be anyone listed in below table. mime type data meanings chemical/x-chem3d Chem3D molecular model chemical/chem3d Chem3D molecular model chemical/x-cdx ChemDraw file format chemical/x-alchemy Alchemy chemical/x-cart1 Cart Coods 1 chemical/x-cart2 Cart Coods 2 chemical/x-ccdb CCDB chemical/x-gaussian-input Gaussian Input chemical/x-gaussian-checkpoint Gaussian Checkpoint chemical/x-gaussian-cube Gaussian Cube* chemical/x-gamess-input Gamess Input chemical/x-internal   chemical/x-macromodel-input MacroModel chemical/x-mdl-molfile MDL MolFile chemical/x-msimolfile MSI ChemNote chemical/x-mopac-input MOPAC Input File chemical/x-mopac-graph MOPAC Graph file* chemical/x-pdb Protein Data Bank chemical/pdb Protein Data Bank chemical/x-mmcif macromolecular CIF chemical/x-sybylmol Sybyl chemical/x-sybylmol2 Sybyl 2 data         - The data will be set.
Return
	None

see also: getData | back to index

 

reflect(plane)
Description
	Reflect the model
Parameters
	plane: 0 - reflect from the original point of the axis system           1 - Y-Z plane           2 - X-Z plane           3 - X-y plane
Return
	None

see also: rotate | back to index

 

rotate(axis, angle)
Description
	Rotate the model
Parameters
	axis: 1 - X axis         2 - Y axis         3 - Z axis angle - The angle value in degree to be rotated
Return
	None

see also: reflect | back to index