This is the Linux app named Open Drug Discovery Toolkit (ODDT) whose latest release can be downloaded as ODDT0.7.zip. It can be run online in the free hosting provider OnWorks for workstations.
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SCREENSHOTS
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Open Drug Discovery Toolkit (ODDT)
DESCRIPTION
Open Drug Discovery Toolkit (ODDT) is modular and comprehensive toolkit for use in cheminformatics, molecular modeling etc. ODDT is written in Python, and makes extensive use of Numpy/Scipy. You can use any supported toolkit united under common API (for reference see Pybel or Cinfony). All methods and software based on Pybel/Cinfony should be drop-in compatible with ODDT toolkits. In contrast to its predecessors, which were aimed to have minimalistic API, ODDT introduces extended methods and additional handles. These extensions allow to use of toolkits at all its grace and some features may be backported from others to introduce missing functionalities. Most important and handy property of Molecule in ODDT are Numpy dictionaries containing most properties of supplied molecule. Some of them are straightforward, other require some calculation, ie. atom features. Dictionaries are provided for major entities of molecules.
Features
- Dictionaries are provided for major entities
- The main benefit is marvelous Numpy broadcasting and subsetting
- Each dictionary is defined as a format in Numpy
- Interactions between two molecules are calculated and stored in fingerprint
- Check interactions between molecules
- You can use any supported toolkit united under common API
Programming Language
Python
Categories
This is an application that can also be fetched from https://sourceforge.net/projects/oddt.mirror/. It has been hosted in OnWorks in order to be run online in an easiest way from one of our free Operative Systems.
