Scilligence MolEngine Cheminformatics Toolkit (7.0)
Scilligence MolEngine Cheminformatics Toolkit (7.0)
Scilligence.MolEngine
ABSet Class
ABSet Methods
Add Method
Center Method
Clear Method
ClearFlag Method
Clone Method
Contains Method
CopyTo Method
CountAtoms Method
CountBonds Method
CountQueryAtoms Method
FindBond Method
Flip Method
GeoCenter Method
GetBonds Method
GetBound Method
GetFragment Method
GetMaxID Method
Merge Method
MoveToCenter Method
Remove Method
RemoveAtomBonds Method
ResetIDs Method
Resize Method
Rotate Method
Scale Method
SelectAtoms Method
SetAtomFlags Method
SetBondFlags Method
SetBondLength Method
Translate Method
ABSet
GeoCenter Method
Get the geometry center of a set of atoms
Namespace:
Scilligence.MolEngine
Assembly:
Scilligence.MolEngine (in Scilligence.MolEngine.dll) Version: 1.3.0.0 (7.0.0.39951)
Syntax
C#
Copy
public
static
Point3D
GeoCenter
(
Set
<
Atom
>
atoms
)
Parameters
atoms
Type:
Scilligence.MolEngine.Common
Set
Atom
Atom set
Return Value
Type:
Point3D
A 3D point
See Also
Reference
ABSet Class
Scilligence.MolEngine Namespace