XML RPC Services: Difference between revisions

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We offer several XML RPC services.
We offer several XML RPC services. These are based on supported [[XML RPC Procedures]]. This page is a crib sheet on how to use these services. Note that the use of docking.org services may be subject to quotas.


* Step 1. Download the client
* Step 1. Download the client
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** browse results [http://blaster.docking.org/cgi-bin/jobwatch.pl?job_id=993&pin= | results]
** browse results [http://blaster.docking.org/cgi-bin/jobwatch.pl?job_id=993&pin= | results]
* Step 5. Upload data and process ligands in ZINC
* Step 5. Upload data and process ligands in ZINC
** xmlclient.py upload actives.py ; returns ZINC upload number
** xmlclient.py upload actives.smi ; returns ZINC upload number
* Step 6. Search ZINC using SMILES
* Step 6. Search ZINC using SMILES
** xmlclient.py match_smiles test1.smi; returns list
** xmlclient.py match_smiles test1.smi; returns list

Revision as of 21:12, 12 March 2007

We offer several XML RPC services. These are based on supported XML RPC Procedures. This page is a crib sheet on how to use these services. Note that the use of docking.org services may be subject to quotas.

  • Step 1. Download the client
  • Step 2. Download the sample data
  • Step 3. Protonate AChE receptor PDB file
    • xmlclient.py protonate_united ache ; expects rec.pdb ; returns newrec.pdb
      • ; this takes rec.pdb and returns newrec.pdb, with united atoms protonated
  • Step 4. Run DOCK Blaster
    • xmlclient.py dock ache ; returns DOCK Blaster Job ID number
    • browse results | results
  • Step 5. Upload data and process ligands in ZINC
    • xmlclient.py upload actives.smi ; returns ZINC upload number
  • Step 6. Search ZINC using SMILES
    • xmlclient.py match_smiles test1.smi; returns list
  • Step 7. Search ZINC using SMARTS
    • xmlclient.py match_smarts test2.sma; returns list
  • Step 8. Find similars in ZINC
    • xmlclient.py getsimilars actives.smi; returns list
  • Step 9. Find decoys in ZINC
    • xmlclient.py getdecoys actives.smi; returns list
  • Step 10. blah
    • xmlclient.py blah blah
  • Step 11. blah
    • xmlclient.py blah blah
  • Step 12. blah
    • xmlclient.py blah blah
  • Step 13. blah
    • xmlclient.py blah blah