/tools/molorbdraw

molorbdraw

PhelanShao/molorbdraw

28 stars6 forksPythonAdded February 8, 2026
summary

MolOrbDraw is a visualization tool that allows users to interactively view molecular orbitals from Gaussian cube files. It provides advanced molecular structure analysis capabilities, including bond detection and topology analysis.

description

A tool for visualizing molecular orbitals from cube files

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