/tools/chemcoord
chemcoord
mcocdawc/chemcoord
86 stars18 forksPythonAdded February 4, 2026
summary
Chemcoord is a Python module designed for transforming molecular structures between Cartesian and internal coordinates, specifically Z-matrices. It includes features for handling complex chemical structures and is optimized for performance, making it useful in theoretical chemistry workflows.
description
A python module for manipulating cartesian and internal coordinates.
topics
chemicalpythonphysicsphysics-simulationchemistrycheminformaticstheoretical-spectroscopypython-library
Ratings
N/A
0 ratings
Rate this tool: