OpenStructure
Data Structures | Namespaces | Functions
msms.py File Reference

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Data Structures

class  MsmsProcessError
 

Namespaces

 ost.bindings.msms
 

Functions

def GetVersion (msms_exe=None, msms_env=None)
 
def CalculateSurfaceArea (entity, density=1.0, radius=1.5, all_surf=False, no_hydrogens=False, no_hetatoms=False, no_waters=False, selection='', msms_exe=None, msms_env=None, keep_files=False, attach_asa=None, attach_esa=None)
 
def CalculateSurfaceVolume (entity, density=1.0, radius=1.5, all_surf=False, no_hydrogens=False, no_hetatoms=False, no_waters=False, selection='', msms_exe=None, msms_env=None, keep_files=False, attach_asa=None, attach_esa=None)
 
def CalculateSurface (entity, density=1.0, radius=1.5, all_surf=False, no_hydrogens=False, no_hetatoms=False, no_waters=False, selection='', msms_exe=None, msms_env=None, keep_files=False, attach_asa=None, attach_esa=None)