pmapper
stable
Pmapper - 3D pharmacophore signatures and fingerprints
Classes and functions:
Pharmacophore class
Custom features support
Utilities
Command line utilities:
Command line utilities
pmapper
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Index
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__init__() (pmapper.pharmacophore.Pharmacophore method)
F
fit_model() (pmapper.pharmacophore.Pharmacophore method)
G
get_bin_step() (pmapper.pharmacophore.Pharmacophore method)
get_descriptors() (pmapper.pharmacophore.Pharmacophore method)
get_feature_coords() (pmapper.pharmacophore.Pharmacophore method)
get_features_count() (pmapper.pharmacophore.Pharmacophore method)
get_fp() (pmapper.pharmacophore.Pharmacophore method)
get_fp2() (pmapper.pharmacophore.Pharmacophore method)
get_graph() (pmapper.pharmacophore.Pharmacophore method)
get_mirror_pharmacophore() (pmapper.pharmacophore.Pharmacophore method)
get_mol() (pmapper.pharmacophore.Pharmacophore method)
get_rms() (in module pmapper.utils)
get_signature_md5() (pmapper.pharmacophore.Pharmacophore method)
I
iterate_pharm() (pmapper.pharmacophore.Pharmacophore method)
iterate_pharm1() (pmapper.pharmacophore.Pharmacophore method)
L
load_factory() (in module pmapper.customize)
load_from_atom_ids() (pmapper.pharmacophore.Pharmacophore method)
load_from_feature_factory() (pmapper.pharmacophore.Pharmacophore method)
load_from_file() (pmapper.pharmacophore.Pharmacophore method)
load_from_mol() (pmapper.pharmacophore.Pharmacophore method)
load_from_pma() (pmapper.pharmacophore.Pharmacophore method)
load_from_smarts() (pmapper.pharmacophore.Pharmacophore method)
load_from_xyz() (pmapper.pharmacophore.Pharmacophore method)
load_ls_model() (pmapper.pharmacophore.Pharmacophore method)
load_multi_conf_mol() (in module pmapper.utils)
load_smarts() (in module pmapper.customize)
P
Pharmacophore (class in pmapper.pharmacophore)
pmapper.customize (module)
pmapper.utils (module)
S
save_ls_model() (pmapper.pharmacophore.Pharmacophore method)
save_to_pma() (pmapper.pharmacophore.Pharmacophore method)
U
update() (pmapper.pharmacophore.Pharmacophore method)
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