add_bonds(molecular_system, bonded_atom_pairs)
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Adding covalent bonds between atom pairs in a molecular system. |
add_missing_bonds(molecular_system[, ...])
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Adding missing covalent bonds based on atomic distances and types. |
add_missing_heavy_atoms(molecular_system[, ...])
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Adding missing non-hydrogen atoms to a molecular system. |
add_missing_hydrogens(molecular_system[, ...])
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Adding missing hydrogen atoms to a molecular system. |
add_missing_terminal_cappings(molecular_system)
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Adding terminal cappings to peptides and proteins. |
build_peptide(molecular_system[, to_form, ...])
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Building a peptide from a sequence. |
define_new_chain(molecular_system[, ...])
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Defining a new chain from selected atoms. |
get_disulfide_bonds(molecular_system[, ...])
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Identifying disulfide bonds between sulfur atoms. |
get_missing_bonds(molecular_system[, ...])
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To be written soon... |
get_missing_heavy_atoms(molecular_system[, ...])
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To be written soon... |
get_missing_residues(molecular_system[, ...])
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To be written soon... |
get_missing_terminal_cappings(molecular_system)
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To be written soon... |
get_non_standard_residues(molecular_system)
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To be written soon... |
has_hydrogens(molecular_system[, selection, ...])
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is_solvated(molecular_system[, skip_digestion])
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To be written soon... |
make_bioassembly(molecular_system[, ...])
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To be written soon... |
make_water_box(box[, form])
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mutate(molecular_system[, mutations, keys, ...])
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To be written soon... |
remove_bonds(molecular_system[, ...])
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remove_overlapping_molecules(...[, ...])
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solvate(molecular_system[, box_shape, ...])
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To be written soon... |
solve_atoms_with_alternate_location(...[, ...])
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To be written soon... |
