The pymatgen.core.structure.Molecule module in Python is a powerful tool used for representing and manipulating molecular structures. It provides a convenient way to define and store the coordinates and properties of individual atoms within a molecule. This module allows users to perform a variety of tasks, such as calculating interatomic distances, finding molecular centers of mass, rotating molecules, and visualizing molecular structures. It is a valuable resource for researchers working in the fields of materials science, computational chemistry, and molecular biology.
Python Molecule - 60 examples found. These are the top rated real world Python examples of pymatgen.core.structure.Molecule extracted from open source projects. You can rate examples to help us improve the quality of examples.