obabel

Obabel is a command line tool used for converting chemical file formats. It stands for Open Babel, which is an open-source chemistry toolbox designed to speak the many languages of chemical data. This tool allows chemists and researchers to manipulate, analyze, and convert chemical data files effortlessly.

Obabel supports over 110 different chemical file formats, including popular formats like PDB, SDF, SMILES, and more. It provides a way to seamlessly convert between different file formats, allowing users to work with their preferred formats without any compatibility issues.

With its simple command line interface, Obabel can be easily integrated into scripts and automation pipelines, making it a powerful tool for large-scale data processing. It can handle single files as well as batch conversions, making it efficient for processing multiple files at once.

Obabel offers a wide range of operations, allowing users to perform tasks like structure generation, structure searches, property calculations, chemical database querying, and more. It also provides options for customizing the output, converting 2D representations to 3D structures, and performing molecular docking simulations.

Being an open-source tool, Obabel benefits from a large and active community of developers and users, ensuring regular updates, bug fixes, and new features. It is available for Windows, Mac OS, and Linux, making it highly accessible for chemists and researchers across different platforms.