moleculekit.home module#

moleculekit.home.home(dataDir=None, shareDir=None)#

Return the pathname of the moleculekit root directory (or a data subdirectory).

Parameters:

  • dataDir (str) – If not None, return the path to a specific data directory

  • shareDir (bool) – If True, return path to the share directory

Returns:

dir – The directory

Return type:

str

Example

>>> from moleculekit.home import home
>>> home()                                 
'.../moleculekit'
>>> home(dataDir="dhfr")                   
'.../data/dhfr'
>>> os.path.join(home(dataDir="dhfr"),"dhfr.pdb")  
'.../data/dhfr/dhfr.pdb'