stereochemistry.py File Reference

Go to the source code of this file.

Data Structures
class	ClashInfo
class	BondViolationInfo
class	AngleViolationInfo

Namespaces
namespace	ost
namespace	ost::mol
namespace	ost::mol::alg
namespace	ost.mol.alg.stereochemistry

Functions
	_AtomToQualifiedName (a)
	_PotentialDisulfid (a_one, a_two)
	_GetAngles (bonds)
	_GetResidueType (atoms)
	_ParseBondData (doc)
	_ParseAngleData (doc)
	StereoDataFromMON_LIB (mon_lib_path, compounds=None)
	GetBondParam (a1, a2, stereo_data=None, stereo_link_data=None)
	GetAngleParam (a1, a2, a3, stereo_data=None, stereo_link_data=None)
	GetClashes (ent, vdw_radii=None, tolerance=1.5, disulfid_dist=2.03, disulfid_tolerance=1.0)
	GetBadBonds (ent, stereo_data=None, stereo_link_data=None, tolerance=12)
	GetBadAngles (ent, stereo_data=None, stereo_link_data=None, tolerance=12)
	StereoCheck (ent, stereo_data=None, stereo_link_data=None)
	GetDefaultStereoData ()
	GetDefaultStereoLinkData ()