Docking interface for Target Systems. In action on Endocrine Disruptome!
DoTS is open source Docking interface for Target Systems, used for docking 1 molecule to multiple targets
It supports SMILES and structure draw docking with AutoDock Vina.
It runs Endocrine Disruptome
This project wouldn't be possible without these excellent open source projects:
- Django - Python web framework, which is a base for DoTS
- OpenBabel/pybel - chemistry toolkit with python bindings
- jQuery - javascript library
- AutoDock Vina- suite of automated docking tools
- Celery and django-celery for async tasks (docking in background)
- RabbitMQ - messaging system
- ChemDoodle Web - javascript chemical library, which handles the displayand drawing of chemical structures
- Flot - jQuery plugin for plotting
- Twitter Bootstrap - CSS style
- Font Awesome
- Can crash if can't dock a compound in one of receptors
DoTS is developed by Katra Kolšek and Samo Turk.
Copyright 2013 Katra Kolšek and Samo Turk