msms.py File Reference

Go to the source code of this file.

Data Structures
class	MsmsProcessError

Namespaces
namespace	ost
namespace	ost::bindings
namespace	ost.bindings.msms

Functions
	GetVersion (msms_exe=None, msms_env=None)
	_GetExecutable (msms_exe, msms_env)
	_SetupFiles (entity, selection)
	_ParseAreaFile (entity, selection, file, asa_prop, esa_prop)
	_CleanupFiles (dir_name)
	_RunMSMS (command)
	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)
	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)
	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)