XML RPC Services: Difference between revisions

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We offer several XML RPC (XMLRPC) 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.
We offer several XML RPC (XMLRPC) 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. see [http://www.xmlrpc.com/ http://www.xmlrpc.com/]


* Step 1. Download the client
* Step 1. Download the client
Line 31: Line 31:
* Step 13. blah
* Step 13. blah
** xmlclient.py blah blah
** xmlclient.py blah blah
[[Category:ZINC]]
[[Category:DOCK Blaster]]
[[Category:Software]]

Latest revision as of 00:52, 11 March 2014

We offer several XML RPC (XMLRPC) 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. see http://www.xmlrpc.com/

  • 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