Mol2Mol

Mol2Mol is an impressive software that enables users to manipulate and convert between different types of chemical files used by popular programs. With support for approximately 40 different file types, it automatically recognizes the format of most of them. This program provides multiple, batch, and split conversions, making it a powerful tool for chemists.

While Mol2Mol is not a modeling program, it boasts a simple graphical interface that enables users to display files on the screen in different graphical formats, including ball-and-stick, vector, and stereo displays. It is also possible to correct the structures of chemical files by changing atom or bond types, adding or removing hydrogens, and more. Additionally, advanced users can manually edit the ASCII files to suit their needs.

One of Mol2Mol's significant strengths is its chemical intelligence feature. It can recognize detailed atom types, hybridization, and chemical environments, which is necessary for converting simpler formats (such as X-ray crystallographic files) to more advanced ones. This software is also equipped with tools to calculate geometrical data, including basic distances, angles, dihedral angles around an atom, piramidality, distances from least square planes or methyl centroids, planarity and puckering of rings, checking for mistakes in protein backbones, renumbering, POV-ray, and more.

In conclusion, Mol2Mol is a robust software that offers a wide range of functionalities for chemists working with chemical files. Its homepage, web.interware.hu/frenzy/mol2mol, provides users with more information about the software and its capabilities.