Class MetalInter
object --+
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GeomAnalyzerBase --+
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_CompositeAnalyzer --+
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MetalInter
Interactions between metal elements and protein/ligand atoms.
Returns a list of dict. The length of this
list is the number of frames. The dict key is
'MetalResult', and the value is a list of either _MetalInter.MetalP or _MetalInter.MetalL objects, where ion_aid, prot_aid
and lig_aid are the AID of the ion atom, protein atom and ligand atom,
ion_ele is the ion element string, distance is the distance between the
ion atom and the protein/ligand atom.
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MetalP
_MetalP(ion_aid, ion_ele, prot_aid, distance)
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MetalL
_MetalL(ion_aid, ion_ele, lig_aid, distance)
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__init__(self,
msys_model,
cms_model,
prot_asl,
lig_asl,
contact_cutoff=6.0,
metal_cutoff=3.4)
x.__init__(...) initializes x; see help(type(x)) for signature |
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| _isWithinCutoff(self,
zipped_data) |
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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,
metal_cutoff=3.4)
(Constructor)
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x.__init__(...) initializes x; see help(type(x)) for signature
- Overrides:
object.__init__
- (inherited documentation)
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