MolAlign is the command-line powerhouse of the suite. It is designed to stitch multiple reaction segments (e.g., separate IRC calculations) into one seamless, physically consistent trajectory.
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Updated
May 1, 2026 - Python
MolAlign is the command-line powerhouse of the suite. It is designed to stitch multiple reaction segments (e.g., separate IRC calculations) into one seamless, physically consistent trajectory.
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.
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