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Namespaces | Functions
naccess.py File Reference

Go to the source code of this file.

Namespaces

namespace  ost
 
namespace  ost::bindings
 
namespace  ost.bindings.naccess
 

Functions

 _GetExecutable (naccess_exe)
 
 _CheckNaccessRoot (naccess_root)
 
 _SetupFiles (entity, selection, scratch_dir, max_number_of_atoms)
 
 _ParseAsaFile (entity, file, asa_atom)
 
 _ParseRsaFile (entity, file, asa_abs, asa_rel)
 
 _RunACCALL (command, temp_dir, query)
 
 _RunNACCESS (command, temp_dir)
 
 CalculateSurfaceArea (entity, radius=1.4, include_hydrogens=False, include_hetatm=False, include_water=False, selection="", naccess_exe=None, naccess_root=None, keep_files=False, asa_abs="asaAbs", asa_rel="asaRel", asa_atom="asaAtom", scratch_dir=None, max_number_of_atoms=50000)