pymol-mcp
Headless PyMOL for molecular visualization, GROMACS/LAMMPS MD trajectories, and clathrate-hydrate cage analysis: H-bond networks, F3/F4 order parameters, and TRACE cage perception + occupancy.
Topics: Biology, Medicine and Bioinformatics
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See the repository for installation instructions: https://github.com/wjgoarxiv/pymol-mcp
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Listed in punkpeye/awesome-mcp-servers (MIT)