Cluspro Tools

Configuration File: cluspro_tools.json Tool Type: Local Tools Count: 1

This page contains all tools defined in the cluspro_tools.json configuration file.

Available Tools

ClusPro_submit_peptide_docking (Type: ClusProSubmitPeptideDockingTool)

Submit a peptide-protein docking job to ClusPro (peptide mode) and return the ClusPro job id. Doc…

ClusPro_submit_peptide_docking tool specification

Tool Information:

  • Name: ClusPro_submit_peptide_docking

  • Type: ClusProSubmitPeptideDockingTool

  • Description: Submit a peptide-protein docking job to ClusPro (peptide mode) and return the ClusPro job id. Docks a short peptide (motif + sequence) against a receptor given by 4-letter PDB code. Docking is asynchronous (hours); retrieve clustered poses + scores from your ClusPro results page. Requires a FREE academic ClusPro account: set CLUSPRO_USERNAME and CLUSPRO_API_SECRET. Peptide mode is for SHORT peptides (~<=30 residues).

Parameters:

  • receptor_pdb_id (string) (required) 4-letter PDB code of the receptor protein, e.g. ‘1A2K’.

  • peptide_sequence (string) (required) Peptide amino-acid sequence (1-letter), e.g. ‘KGRRL’. Short peptides only.

  • peptide_motif ([‘string’, ‘null’]) (optional) Peptide motif for PDB fragment search (X = wildcard), e.g. ‘KXRRL’. Defaults to peptide_sequence if omitted.

  • jobname ([‘string’, ‘null’]) (optional) Optional job name (defaults to a ClusPro job number).

Example Usage:

query = {
    "name": "ClusPro_submit_peptide_docking",
    "arguments": {
        "receptor_pdb_id": "example_value",
        "peptide_sequence": "example_value"
    }
}
result = tu.run(query)