XML RPC Services: Difference between revisions

Revision as of 18:47, 22 February 2007

We offer several XML RPC services.

Step 1. Download the client
- Client [1]
Step 2. Download the sample data
- Sample data ZIP file [2]
- Browse sample data [3]
- 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
Step 4. Run DOCK Blaster
- client.py blaster ache ; returns DOCK Blaster Job ID number
- connect to browser to see results http://blaster.docking.org/cgi-bin/jobwatch.pl?jobid=999
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.

@@ Line 2: / Line 2: @@
 * Step 1. Download the client
-** Client [http://blaster.docking.org/xmlrpc/client9.py client.py]
+** Client [http://blaster.docking.org/xmlrpc/client.py]
 * Step 2. Download the sample data
 ** Sample data ZIP file [http://blaster.docking.org/data/dud40.zip]