See: Description
| Interface | Description |
|---|---|
| CIPStereoDescriptorIface |
Cahn-Ingold-Prelog (CIP) stereodescriptor interface.
|
| CIPStereoDescriptorIface.CIPValue | |
| HybridizationStateConsts |
Hybridization state constants.
|
| Incomplecule |
Ancestor of molecule classes and interfaces.
|
| MTransformable |
Interface for 3D transformable classes.
|
| Smolecule |
Array-based abstract molecule class.
|
| StereoConstants |
Constants for atom parity and double bond stereo.
|
| WSmolecule |
Writable abstract molecule class.
|
| Class | Description |
|---|---|
| AtomProperty |
Class for storing atom property enumerations.
|
| AtropStereoDescriptor |
Descriptor representing atrop stereo information, the rotation of two aromatic rings connected by
a single bond (axis), and at least 3 of the ligands in the ring connected to the axis has a non-ring ligand.
CIPStereoDescriptorIface.CIPValue.AtropStereoValue.ODD means that if we watch the molecule in the direction of the axis, and the ligand
with the maximum index from the ligand connected to the axis is in the back, then from the higher indexed of the
two ligands in the front the higher indexed in the back is clockwise.
CIPStereoDescriptorIface.CIPValue.AtropStereoValue.EVEN means that if we watch the molecule in the direction of the axis, and the ligand
with the maximum index from the ligand connected to the axis is in the back, then from the higher indexed of the
two ligands in the front the higher indexed in the back is counter-clockwise.
CIPStereoDescriptorIface.CIPValue.AtropStereoValue.UNKNOWN means that it can not be decided if it is clockwise or counter-clockwise, but
there is no wiggly bond - like a 2D structure without wedge information..
CIPStereoDescriptorIface.CIPValue.AtropStereoValue.WIGGLY means that there is a wiggly bond on either ligand in the ring connected
to the axis, or the axis is wiggly.
|
| AxialStereoDescriptor | |
| CisTransStereoDescriptor | |
| CTransform3D |
3D transformation matrix.
|
| DPoint3 |
Point in three dimensional space.
|
| MDocument |
Marvin document.
|
| MDocument.CheckerMark |
Provides informations for Structure Checker higlight
|
| MObject |
Paintable object.
|
| MolAtom |
Atom object and the properties of the elements.
|
| MolBond |
Chemical bond.
|
| Molecule |
Molecule class.
|
| MoleculeGraph |
A graph consisting of MolAtom nodes and MolBond edges.
|
| MPoint |
Point object.
|
| MProp |
Property base class.
|
| MPropertyContainer |
Property container.
|
| MSelectionDocument |
Selection document.
|
| NoStructure |
This class represents NoStructure labels.
|
| PeriodicSystem |
Periodic System of the Elements.
|
| QueryBond |
Chemical bond.
|
| RgMolecule |
A molecule or reaction containing R-groups.
|
| RxnMolecule |
Reaction.
|
| SelectionMolecule |
A selection object which can contain atoms and bonds without real parent relationship (the real parent of atoms and
bonds is another MoleculeGraph ancestor).
|
| Sgroup |
Structural group representation in the molecule.
|
| StereoActivePart |
Stereo active molecule part with stereo active atom index and
its ligands which takes part in the stereo description.
|
| TetrahedralStereoDescriptor |
| Enum | Description |
|---|---|
| AtomProperty.Radical |
Enumeration of the supported radicals.
|
| CIPStereoDescriptorIface.CIPType | |
| CIPStereoDescriptorIface.CIPValue.AtropStereoIUPACValue | |
| CIPStereoDescriptorIface.CIPValue.AtropStereoValue | |
| CIPStereoDescriptorIface.CIPValue.AxialStereoIUPACValue | |
| CIPStereoDescriptorIface.CIPValue.AxialStereoValue | |
| CIPStereoDescriptorIface.CIPValue.CisTransStereoIUPACValue | |
| CIPStereoDescriptorIface.CIPValue.CisTransStereoValue | |
| CIPStereoDescriptorIface.CIPValue.TetrahedralStereoIUPACValue | |
| CIPStereoDescriptorIface.CIPValue.TetrahedralStereoValue | |
| MoleculeGraph.ValenceCheckState | Deprecated
As of Marvin 6.0, replaced by
MoleculeGraph.setValenceCheckOptions(ValenceCheckOptions) and
ValenceCheckOptions. |
| SgroupType |
Enum of possible sgroup types.
|