stereochemistry.py File Reference

Go to the source code of this file.

Data Structures
class	ClashInfo
class	BondViolationInfo
class	AngleViolationInfo

Namespaces
	ost.mol.alg.stereochemistry

Functions
def	StereoDataFromMON_LIB (mon_lib_path, compounds=None)
def	GetBondParam (a1, a2, stereo_data=None, stereo_link_data=None)
def	GetAngleParam (a1, a2, a3, stereo_data=None, stereo_link_data=None)
def	GetClashes (ent, vdw_radii=None, tolerance=1.5, disulfid_dist=2.03, disulfid_tolerance=1.0)
def	GetBadBonds (ent, stereo_data=None, stereo_link_data=None, tolerance=12)
def	GetBadAngles (ent, stereo_data=None, stereo_link_data=None, tolerance=12)
def	StereoCheck (ent, stereo_data=None, stereo_link_data=None)
def	GetDefaultStereoData ()
def	GetDefaultStereoLinkData ()