/tools/xyz2mol
xyz2mol
jensengroup/xyz2mol
294 stars68 forksPythonAdded February 4, 2026
summary
xyz2mol is a Python tool that converts Cartesian coordinates from xyz files into RDKit molecular objects, allowing for the generation of molecular graphs. It supports the handling of resonance forms and can output various molecular formats, making it useful for computational chemistry applications.
description
Converts an xyz file to an RDKit mol object
topics
computational-chemistry
Ratings
N/A
0 ratings
Rate this tool: