What is meant by molecular measurement?
The term "molecular measurement" refers to the quantitative and qualitative analysis of the spatial and structural properties of a molecule. This measurement includes determining distances, angles, and other geometric parameters within the molecule, as well as calculating physical properties based on the molecular structure.
Typical software functions in the area of "molecular measurement":
- Geometric Analysis: Measurement and calculation of distances and angles between atoms in a molecule.
- Volume Calculation: Determination of the molecular volume or the volume of specific substructures within the molecule.
- Surface Calculation: Calculation of the molecular surface, including the determination of molecule surfaces and their interaction areas.
- Bond Length and Bond Angle Measurement: Precise measurement of bond lengths and the angles between these bonds.
- Structural Verification: Verification of the spatial arrangement of atoms relative to theoretical or experimental models.
- Molecular Dynamics: Simulation and analysis of molecular movements and interactions over time to assess dynamic properties.
- Comparison of Molecular Structures: Comparison of derived molecular parameters with those of known molecules in databases.