hbond.py File Reference

Go to the source code of this file.

Data Structures
class	HBondableAtoms
class	HBondDonor
class	HBondAcceptor
class	HBond

Namespaces
namespace	ost
namespace	ost::mol
namespace	ost::mol::alg
namespace	ost.mol.alg.hbond

Functions
	BuildCHARMMHBondDonorAcceptorDict ()
	BuildCHARMMHBondDonorEquivalenceDict ()
	BuildCHARMMHBondAcceptorEquivalenceDict ()
	ListEquivalentDonors (donor, donor_swap_dict)
	ListEquivalentAcceptors (acceptor, acceptor_swap_dict)
	AreHBonded (donor, acceptor, da_dist=3.9, ha_dist=2.5, dha_angle=1.57, daaa_angle=1.57, haaa_angle=1.57)
	GetHbondDonorAcceptorList (eh, hbond_donor_acceptor_dict={}, verbose=True)
	GetHbondListFromDonorAcceptorLists (donor_list, acceptor_list)
	GetHbondListFromView (eh, hbond_donor_acceptor_dict={}, verbose=True)
	GetHbondListFromTraj (t, eh, cutoff=0.7, stride=1, swap=False, donor_swap_dict={}, acceptor_swap_dict={}, hbond_donor_acceptor_dict={}, verbose=True)
	GetHbondListBetweenViews (eh1, eh2, hbond_donor_acceptor_dict={}, verbose=True)
	GetEquivalentHBonds (ref_hbond_list, eh, swap=False, donor_swap_dict={}, acceptor_swap_dict={}, verbose=True)
	CalculateHBondScore (ref_eh, eh2, ref_eh2=None, hbond_donor_acceptor_dict={}, swap=False, donor_swap_dict={}, acceptor_swap_dict={}, verbose=True)
	AnalyzeHBondScore (ref_eh, t, eh2, ref_eh2=None, hbond_donor_acceptor_dict={}, swap=False, donor_swap_dict={}, acceptor_swap_dict={}, first=0, last=-1, stride=1, verbose=True)
	GetHBondListIntersection (ref_hbond_list, ref_eh, hbond_list, swap=False, donor_swap_dict={}, acceptor_swap_dict={})