MolVista is a powerful Python-based graphical suite designed for the visualization, alignment, and splicing of chemical reaction paths (e.g., IRC trajectories). It comes paired with MolAlign, a command-line tool for automated batch processing of complex multi-segment reactions.
python irc blender povray nwchem computational-chemistry quantum-chemistry orca psi4 trajectory-alignement irc-trajectory-alignment
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Updated
Apr 11, 2026 - Python