#include <ostream>
#include "model.hpp"
#include "util.hpp"
Go to the source code of this file.
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void | gemmi::ensure_unique_chain_name (const Model &model, Chain &chain) |
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GEMMI_DLL Model | gemmi::make_assembly (const Assembly &assembly, const Model &model, HowToNameCopiedChain how, std::ostream *out) |
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Assembly | gemmi::pseudo_assembly_for_unit_cell (const UnitCell &cell) |
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GEMMI_DLL void | gemmi::transform_to_assembly (Structure &st, const std::string &assembly_name, HowToNameCopiedChain how, std::ostream *out, bool keep_spacegroup=false, double merge_dist=0.2) |
| If called with assembly_name="unit_cell" changes structure to unit cell (P1).
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GEMMI_DLL Model | gemmi::expand_ncs_model (const Model &model, const std::vector< NcsOp > &ncs, HowToNameCopiedChain how) |
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GEMMI_DLL void | gemmi::merge_atoms_in_expanded_model (Model &model, const UnitCell &cell, double max_dist=0.2, bool compare_serial=true) |
| Searches and merges overlapping equivalent atoms from different chains.
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GEMMI_DLL void | gemmi::shorten_chain_names (Structure &st) |
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GEMMI_DLL void | gemmi::expand_ncs (Structure &st, HowToNameCopiedChain how, double merge_dist=0.2) |
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GEMMI_DLL void | gemmi::split_chains_by_segments (Model &model, HowToNameCopiedChain how) |
| HowToNameCopiedChain::Dup adds segment name to chain name.
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