Loading data

Using a CSV file.

Move to the directory WONKA is installed in, for the example, using this example this would be

cd ~/CHOC/src/WebApp

IMPORTANT

The "model_id" should not start with the TARGNAME

Then type the command to run WONKA.

python manage.py --wonka True --datasite CSV --csv_path C:\FULL\PATH\TO\FILE.csv --targ TARGNAME

If using the Windows binaries this should be:

manage.exe --wonka True --datasite CSV --csv_path C:\FULL\PATH\TO\FILE.csv  --targ TARGNAME

A full example of loading data is available:

Test data is available as a part of the git repostitory. These are fragment bound structures for the bromodomain of BAZ2B.

It can also be downloaded here

python manage.py --wonka True --datasite CSV --csv_path WONKA_DATA/LOAD.csv --targ TRIAL

Processing

Warnings are quite usual during processing and nothing to be worried about.

Direct from a database

For use in GSK and at the SGC we have written code that will pull data direct from a database. This can be written on a site by site basis and we are more than happy to help you with this. Just email me at anthony.bradley@worc.ox.ac.uk or wonka.help@gmail.com