stko.molecule_analysis

Tools for molecular analysis.

Classes

AlkyneAngle	Sub group measure of avg.
C5N1Planarity	Sub group measure of C5N1 ring planarity.
C6Planarity	Sub group measure of C6 ring planarity.
ConstructedAnalyser	Analyses geometry of building blocks in constructed molecules.
DecomposeMOC	Decompose a metal-organic cage to obtain its organic building blocks.
DitopicThreeSiteAnalyser	Analyses geometry of functional groups in ditopic molecules.
GeometryAnalyser	Tools for analysing the geometry of molecules.
Subgroup	Defines subgroup to search for and its measure of interest.
SubgroupAnalyser	Defines the analyser of subgroup instances.
X5Planarity	Sub group measure of five-membered ring planarity.