molecular-dynamics
De la autor
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.
Instalare
npx skills add ssinder/bioinformatics-agent-skills --skill molecular-dynamics -a claude-code
Se instalează în .claude/skills/molecular-dynamics/ · Fiecare comandă descarcă skill-ul direct de pe GitHub cu utilitarul open source skills.
Identic octet cu octet cu commit-ul scanat, cu licența depozitului și un fișier SOURCE.txt.
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Verificări de siguranță pe SKILL.md
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De ce 76
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Skill-uri similare
Cele mai apropiate de acesta prin ce fac și când sunt folosite.
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- alterlab-molecular-dynamicsAlterLab-IEU/AlterLab-Academic-SkillsRuns and analyzes molecular dynamics simulations with OpenMM and MDAnalysis — setting up protein and small-molecule systems, assigning force fields, running energy minimization and production MD, and analyzing trajectories (RMSD, RMSF, contact maps, free energy surfaces). Use when simulating protein or ligand dynamics, equilibrating a system, or computing trajectory metrics for structural biology, drug binding, or biophysics. Part of the AlterLab Academic Skills suite.Știință★ 84
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