pdb-database

Search and retrieve 3D macromolecular structures from the RCSB PDB database.

8|Updated Nov 19, 2025
One-click install
npx skills add https://github.com/sanand0/scientific-research --skill pdb-database-sanand0
Or copy as Structured Prompt for Agent
Please help me install this Agent Skill.
Skill: pdb-database
Source: https://github.com/sanand0/scientific-research/tree/main/.claude/skills/pdb-database
Command: npx skills add https://github.com/sanand0/scientific-research --skill pdb-database-sanand0

SYSTEM DOCUMENTATION & REQUIREMENTS

💡 This Skill requires rcsb-api, biopython, and includes scripts (resource) and references (resource) components.

What problem does it solve?

This Skill provides access to the RCSB Protein Data Bank, enabling users to find, retrieve, and analyze 3D structural data of biological macromolecules, streamlining research in structural biology and drug discovery.

Core Features & Use Cases

  • Search Structures: Find proteins and nucleic acids by text, sequence, or structural similarity.
  • Download Coordinates: Retrieve structure files in PDB, mmCIF, or BinaryCIF formats.
  • Retrieve Metadata: Access experimental details, organism information, and quality metrics.
  • Use Case: A researcher needs to find the 3D structure of a specific human enzyme to understand its active site for drug design. They can use this Skill to search for the enzyme, download its structure, and analyze its atomic coordinates.

Quick Start

Use the pdb-database skill to search for all human hemoglobin structures with a resolution less than 2.0 Angstroms.

Frequently Asked Questions about pdb-database

High-intent search queries and answers about installing and using this skill.

FAQPage Schema
How do I search RCSB PDB for protein structures by sequence or text?

You can search RCSB PDB for protein structures using text, sequence, or structural similarity. This Skill accesses the RCSB database via Python APIs to retrieve matching 3D macromolecular structures for structural biology research.

Can I download macromolecular coordinate files in PDB or mmCIF format?

Yes, you can download macromolecular coordinate files in PDB, mmCIF, or BinaryCIF formats. The Skill retrieves these structure files programmatically from the RCSB database for drug discovery and structural analysis applications.

How do I retrieve experimental details and quality metrics for a specific PDB entry?

You can retrieve experimental details, organism information, and quality metrics for a PDB entry by querying its metadata. The Skill uses rcsbapi to programmatically access and return detailed structural annotations.

Does this RCSB API Skill support searching for structures by resolution like 2.0 Angstroms?

Yes, this RCSB API Skill supports searching for structures by specific resolution thresholds like 2.0 Angstroms. It facilitates searching by text, sequence, or structural similarity to find precise macromolecular coordinate files.

What's the best way to find a human enzyme's active site for drug discovery from the PDB?

The best way to find a human enzyme's active site for drug discovery is searching the PDB by enzyme name, downloading its structure, and analyzing the atomic coordinates. This Skill uses rcsbapi to retrieve the required 3D structural data.

Do I need biopython to analyze macromolecular structures downloaded from RCSB?

Yes, you need biopython installed to analyze the macromolecular structures downloaded from RCSB. The Skill integrates biopython alongside rcsbapi to parse coordinate files and process structural biology data.