pygtop.interactions
(Interactions)¶
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pygtop.interactions.
get_all_interactions
()[source]¶ Returns a list of all interactions in the Guide to PHARMACOLOGY database. This can take a few seconds.
Returns: list of Interaction
objects
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class
pygtop.interactions.
Interaction
(json_data)[source]¶ A Guide to PHARMACOLOGY interaction object.
Parameters: json_data – A dictionary obtained from the web services. -
gtop_pdbs
(*args, as_molecupy=False, **kwargs)¶ Returns a list of PDBs which the Guide to PHARMACOLOGY says contain this interaction.
Parameters: as_molecupy (bool) – Returns the PDBs as molecuPy PDB objects. Returns: list of str
PDB codes
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all_external_pdbs
(*args, as_molecupy=False, **kwargs)¶ Queries the RSCB PDB database for PDBs containing this interaction by all parameters.
Parameters: as_molecupy (bool) – Returns the PDBs as molecuPy PDB objects.
Returns: list of str
PDB codes
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all_pdbs
(*args, as_molecupy=False, **kwargs)¶ Get a list of PDB codes containing this interaction using all means available - annotated and external.
Parameters: as_molecupy (bool) – Returns the PDBs as molecuPy PDB objects.
Returns: list of str
PDB codes
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primary_target
()[source]¶ Returns
True
if the the interaction represents a ligand interacting with its primary target.Return type: bool
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endogenous
()[source]¶ Returns
True
if the the interaction is an endogenous interaction.Return type: bool
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affinity_low
()[source]¶ Returns the lowest reported affinity for this interaction.
Return type: float
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