pymol-mcpBiology & MedicineResearch & DatawjgoarxivAlicenseBqualityBmaintenanceHeadless 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. Updated a month ago (2026-09-02 16:36 UTC)321MIT