pdb-database

Installation
SKILL.md

Source: https://github.com/aipoch/medical-research-skills

When to Use

Use this skill when you need to:

  • Find protein/nucleic acid 3D structures by keywords, organism, experimental method, or resolution.
  • Identify related structures via sequence similarity (e.g., homolog search for modeling).
  • Identify related structures via 3D structure similarity (e.g., fold-level comparisons).
  • Download coordinates (PDB/mmCIF) for downstream analysis, visualization, docking, or modeling.
  • Run batch retrieval of metadata/coordinates to feed pipelines in drug discovery, protein engineering, or structural bioinformatics.

Key Features

  • Text and attribute-based search over RCSB PDB entries.
  • Sequence similarity search with configurable thresholds (e-value, identity).
  • Structure similarity search using an existing entry as a query.
  • Programmatic metadata retrieval via the RCSB Data API (schema-based or GraphQL).
  • Direct coordinate downloads in PDB and mmCIF formats.
  • Batch processing patterns for multiple PDB IDs.
Installs
1
GitHub Stars
2.0K
First Seen
Sep 23, 2026