is_pv_file(file_name,
max_ligand_atoms=300,
test_all=True,
test_recep_atom_count=True,
test_ligand_atom_count=True,
test_recep_gscore=True,
test_ligand_gscore=True)
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Returns a True if the file appears to be a pose view format file. The
tests are simple, and may not be conclusive. It is assumed that the
trivial test for a 'pv.mae' extension has already been performed.
Specific tests can be skipped by setting the test_recep_atom_count,
test_recep_gscore, test_ligand_atom_count, and test_ligand_gscore
booleans.
- Parameters:
max_ligand_atoms (int) - The maximum size in atoms of a putative ligand, and minimum size
of the receptor. The default is the package constant
schrodinger.application.glide.MAX_LIGAND_ATOMS.test_all (bool) - Perform all tests, regardless of other test_* booleans. Default =
True.test_recep_atom_count (bool) - Receptor must have more than max_ligand_atoms. Default = True.test_ligand_atom_count (bool) - Ligand must have less than or equal to max_ligand_atoms. Default
= True.test_recep_gscore (bool) - Receptor must not have 'r_i_glide_gscore' property. Default =
True.test_ligand_gscore (bool) - Ligand must have 'r_i_glide_gscore' property. Default = True.
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