Neurosnap SDK#
- Neurosnap SDK package
- Subpackages
- neurosnap.algos namespace
- neurosnap.chemistry package
align_molecule_to_reference()calculate_distance_matrix()calculate_rmsd()canonicalize_smiles()find_LCS()generate()get_mol_center()largest_fragment()minimize()move_ligand_to_center()neutralize_molecule()remove_salts()sdf_to_smiles()smiles_to_sdf()standardize_molecule()translate_molecule()validate_smiles()- Submodules
- neurosnap.constants package
- neurosnap.database package
- neurosnap.io namespace
- neurosnap.sequence package
- neurosnap.structure package
AtomChainResidueStructureStructureEnsembleStructureStackalign()animate_frames()ca_distance_matrix()calculate_bsa()calculate_distance_matrix()calculate_hydrogen_bonds()calculate_interface_hydrogen_bonding_residues()calculate_protein_volume()calculate_rmsd()calculate_surface_area()extract_non_biopolymers()find_contacts()find_disulfide_bonds()find_hydrophobic_residues()find_interface_contacts()find_interface_residues()find_non_interface_hydrophobic_patches()find_salt_bridges()fix_nucleic_termini()get_backbone()remove_atoms()remove_chains()remove_non_biopolymers()remove_nucleotides()remove_waters()render_pseudo3D()render_structure_pseudo3D()select_residues()- Submodules
- Submodules
- Subpackages