Class HydrogenBondFinder

      object --+        
               |        
GeomAnalyzerBase --+    
                   |    
    _MaestroAnalysis --+
                       |
                      HydrogenBondFinder


Find hydrogen bonds present between two sets of atoms. This class wraps
around the hbond_module.get_hydrogen_bonds() function.  The result is a
C{list} of C{tuples}, where each tuple is a pair of
L{schrodinger.structure._StructureAtom}s, i.e., (donor, acceptor).

Basic usage:

  ana = HydrogenBondFinder(msys_model, cms_model, aids1, aids2)
  results = analyze(tr, ana)

Instance Methods

[hide private]

__init__(self, msys_model, cms_model, aids1, aids2, max_dist=2.8, min_donor_angle=120.0, min_acceptor_angle=90.0, max_acceptor_angle=360.0, honor_pbc=True)
x.__init__(...) initializes x; see help(type(x)) for signature

_postcalc(self, calc, *_)

Inherited from _MaestroAnalysis (private): _getCentered, _precalc

Inherited from GeomAnalyzerBase: __call__

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__