MOL2formaatit

MOL2formaatit refers to a family of file formats used in computational chemistry and molecular modeling. These formats are primarily designed to store and exchange information about three-dimensional molecular structures. The most common format within this group is the MOL2 file, also known as the Tripos Mol2 file.

A MOL2 file typically contains atomic coordinates (x, y, z), atom types, residue information, connectivity, and optionally charge information. It can also include atom names, bond orders, and other molecular properties. This format is widely used by various molecular visualization and modeling software packages, making it a convenient way to share molecular data between different applications.

The structure of a MOL2 file is relatively simple, consisting of sections that describe the atoms, bonds, and other relevant data. While the Tripos Mol2 format is the most prevalent, variations and extensions may exist depending on the specific software implementation or research context. The primary purpose of MOL2formaatit is to provide a standardized way to represent molecular geometries and associated properties for computational analysis and scientific communication.