Class _ProtLigPolarInter
object --+
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GeomAnalyzerBase --+
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_CompositeAnalyzer --+
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_ProtLigPolarInter
Calculate protein-ligand polar interaction candidates. To further
exclude results from hydrogen bonds and water bridges, call _cleanup_polar_inter. Use the
class ProtLigPolarInter instead for automated cleaning up.
Returns a list of dict. The length of this
list is the number of frames. The dict key is
'PolarResult', and the value is a list of _ProtLigPolarInter.Result, where prot_aid and lig_aid
are the AID of the protein atom and ligand atom, polar_type is a string
that denotes the side chain/backbone information, distance is the
distance between the protein atom and the ligand atom.
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Result
_PolarInter(prot_aid, polar_type, lig_aid, distance)
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__init__(self,
msys_model,
cms_model,
prot_asl,
lig_asl,
contact_cutoff=6.0,
polar_inter_cutoff=3.7)
x.__init__(...) initializes x; see help(type(x)) for signature |
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Inherited from GeomAnalyzerBase:
__call__
Inherited from object:
__delattr__,
__format__,
__getattribute__,
__hash__,
__new__,
__reduce__,
__reduce_ex__,
__repr__,
__setattr__,
__sizeof__,
__str__,
__subclasshook__
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__init__(self,
msys_model,
cms_model,
prot_asl,
lig_asl,
contact_cutoff=6.0,
polar_inter_cutoff=3.7)
(Constructor)
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x.__init__(...) initializes x; see help(type(x)) for signature
- Overrides:
object.__init__
- (inherited documentation)
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