molecular-dynamics
From the author
Analyses molecular-dynamics trajectories with a self-contained pure-numpy DCD and PDB trajectory parser plus built-in Kabsch-Sander alignment, SVD-based PCA, hierarchical clustering of RMSD matrices, geometric hydrogen-bond detection, RMSF, radius of gyration, Ramachandran analysis, inter-chain contacts and Shrake-Rupley SASA. This skill should be used when trajectory RMSD or RMSF, PCA, conformational clustering, hydrogen-bond occupancy, Ramachandran plots or solvent-accessible surface analysis is requested.
Install
npx skills add ssinder/bioinformatics-agent-skills --skill molecular-dynamics -a claude-code
Installs to .claude/skills/molecular-dynamics/ · Each command fetches the skill straight from GitHub with the open skills CLI.
Byte-identical to the scanned commit, with the repository’s licence and a SOURCE.txt.
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