Utilities

SeQuant’s main power lies in the fact that it is written as a library. This ensures a modular design and allows users the most flexibility in using specific functionalities in whatever way they want.

However, sometimes all that is needed is to perform a specific/standard workflow for which readily-available executables are most convenient. This is where utility programs come into play, of which we bundle a couple directly with SeQuant.

• External interface
  • Input format
  • Driver file