Molclaw Extract Chains

Extract protein sequence of each chain from the protein structure file (pdb format).

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File contents

Extract Protein Chains

Note:

  • Local files are not directly accessible by the server. Please upload them to the server using molclaw-file-transfer before execution.
  • For PDB file inputs, it is recommended to preprocess them using molclaw-pdbfixer before execution.
  • Please refer to skill molclaw-scp-server to complete tool invocation.

Use tool extract_pdb_chains to extract protein chains from the repaired pdb file

Tool description:

Extract the amino acid sequence of each chain from the PDB file.
Args:
    pdb_file_path (str): Path to input pdb file
Return:
    status (str): success/error
    msg (str): message
    chains (List[dict]): List of dict, each containing the keys 'chain' and 'sequence'.
        --chain (str): Chain ID
        --sequence (str): Sequence string

Tool usage:

response = await client.session.call_tool(
    "extract_pdb_chains",
    arguments={
        "pdb_file_path": fixed_pdb_path
    }
)
result = client.parse_result(response)
protein_chains = result['chains']

internscience/molclaw/tree/main/skills/L1_tools/molclaw-extract-chains commit 5f72ddd094

Frequently asked questions

npx skillmds@latest add internscience/molclaw-extract-chains