rdkit.Geometry package¶
Submodules¶
- rdkit.Geometry.rdGeometry module
ComputeDihedralAngle()
ComputeGridCentroid()
ComputeSignedDihedralAngle()
FindGridTerminalPoints()
Point2D
Point3D
PointND
ProtrudeDistance()
TanimotoDistance()
TverskyIndex()
UniformGrid3D()
UniformGrid3D_
UniformGrid3D_.CompareParams()
UniformGrid3D_.GetGridIndex()
UniformGrid3D_.GetGridIndices()
UniformGrid3D_.GetGridPointIndex()
UniformGrid3D_.GetGridPointLoc()
UniformGrid3D_.GetNumX()
UniformGrid3D_.GetNumY()
UniformGrid3D_.GetNumZ()
UniformGrid3D_.GetOccupancyVect()
UniformGrid3D_.GetOffset()
UniformGrid3D_.GetSize()
UniformGrid3D_.GetSpacing()
UniformGrid3D_.GetVal()
UniformGrid3D_.GetValPoint()
UniformGrid3D_.SetSphereOccupancy()
UniformGrid3D_.SetVal()
UniformGrid3D_.SetValPoint()
WriteGridToFile()
Module contents¶
A module for Geometry stuff