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tcren 3.2.0 documentation

  • Getting started
  • Assessing a modelled complex
  • Interface feature reference
  • Every descriptor, with its units
  • Structure summary (oracle)
    • Potentials
    • Contact-map Potts model
    • Beyond the contact sum
    • Reliability: scoring one modelled structure
    • A kit for AI-generated TCR–pMHC structures
    • Figure gallery
    • Performance
    • API reference
    • Ranking receptors for a fixed epitope — the 22-cohort VDJdb panel
    • Ranking peptides for a fixed receptor — combinatorial peptide libraries
    • 2D complementarity maps
    • 3D peptide-binding pocket with CDR overlay
    • The canonical TCR-pMHC frame — figures & summary
    • PyMOL renders of canonically-oriented TCR–pMHC complexes
    • Contact thresholds & bond types across all region pairs
    • MHC pseudosequence (MPS) vs. peptide contacts
    • Example — GILGFVFTL / HLA-A*02:01 and the CDR3β Arg–Ser motif
    • tcren · pMHC surface topography
    • TCRen potential & contact-statistics analysis
  • Getting started
  • Assessing a modelled complex
  • Interface feature reference
  • Every descriptor, with its units
  • Structure summary (oracle)
  • Potentials
  • Contact-map Potts model
  • Beyond the contact sum
  • Reliability: scoring one modelled structure
  • A kit for AI-generated TCR–pMHC structures
  • Figure gallery
  • Performance
  • API reference
  • Ranking receptors for a fixed epitope — the 22-cohort VDJdb panel
  • Ranking peptides for a fixed receptor — combinatorial peptide libraries
  • 2D complementarity maps
  • 3D peptide-binding pocket with CDR overlay
  • The canonical TCR-pMHC frame — figures & summary
  • PyMOL renders of canonically-oriented TCR–pMHC complexes
  • Contact thresholds & bond types across all region pairs
  • MHC pseudosequence (MPS) vs. peptide contacts
  • Example — GILGFVFTL / HLA-A*02:01 and the CDR3β Arg–Ser motif
  • tcren · pMHC surface topography
  • TCRen potential & contact-statistics analysis

Section Navigation

  • tcren package
  • API reference

API reference#

  • tcren package
    • Structure I/O
    • Annotation
    • MHC mapping
    • Contacts and per-residue geometry
    • The descriptor catalogue
    • Topology: the shape of the contact set
    • Energetics: sums of a pair potential, and differences of them
    • Mechanics: the contact map as something that can break
    • Docking geometry and canonical orientation
    • Potentials
    • The score set
    • Fit-free cohort scores
    • Epitope scoring and ranking
    • Peptide substitution and refinement
    • Data paths, metadata and provenance
    • Analysis
    • 2D projection and visualization
    • Reference data and reproduction
    • Command line

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