XML RPC Services: Difference between revisions
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* Step 1. Download the client | * Step 1. Download the client | ||
** Client [http://blaster.docking.org/xmlrpc/client.py] | ** Client [http://blaster.docking.org/xmlrpc/client.py client.py] | ||
* Step 2. Download the sample data | * Step 2. Download the sample data | ||
** Sample data ZIP file [http://blaster.docking.org/data/dud40.zip] | ** Sample data ZIP file [http://blaster.docking.org/data/dud40.zip dud40.zip] | ||
** Browse | ** Browse [http://blaster.docking.org/data/dud40/ sample data] | ||
** unzip dud40.zip | ** unzip dud40.zip | ||
* Step 3. Protonate AChE receptor PDB file | * Step 3. Protonate AChE receptor PDB file | ||
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* Step 4. Run DOCK Blaster | * Step 4. Run DOCK Blaster | ||
** client.py blaster ache ; returns DOCK Blaster Job ID number | ** client.py blaster ache ; returns DOCK Blaster Job ID number | ||
** | ** browse results [http://blaster.docking.org/cgi-bin/jobwatch.pl?jobid=999 | results] | ||
* Step 5. Upload data and process in ZINC | * Step 5. Upload data and process in ZINC | ||
** client.py upload actives.py ; returns ZINC upload number | ** client.py upload actives.py ; returns ZINC upload number |
Revision as of 18:48, 22 February 2007
We offer several XML RPC services.
- Step 1. Download the client
- Client client.py
- Step 2. Download the sample data
- Sample data ZIP file dud40.zip
- Browse sample data
- unzip dud40.zip
- Step 3. Protonate AChE receptor PDB file
- client.py upr ache ; upr is United-atom Protonate Receptor
- ; this takes rec.pdb and returns newrec.pdb, with united atoms protonated
- client.py upr ache ; upr is United-atom Protonate Receptor
- Step 4. Run DOCK Blaster
- client.py blaster ache ; returns DOCK Blaster Job ID number
- browse results | results
- Step 5. Upload data and process in ZINC
- client.py upload actives.py ; returns ZINC upload number
- Step 6. Search ZINC using SMILES
- client.py smiles test1.smi
- Step 7. Search ZINC using SMARTS
- client.py smarts test2.sma
- Step 8.