9 #ifndef IMPATOM_MMCIF_H
10 #define IMPATOM_MMCIF_H
12 #include <IMP/atom/atom_config.h>
16 IMPATOM_BEGIN_NAMESPACE
20 PDBSelector *selector = get_default_pdb_selector()
22 ,
bool noradii =
false
27 IMPATOMEXPORT Hierarchy
read_mmcif(TextInput input, Model *model,
28 PDBSelector *selector = get_default_pdb_selector(),
29 bool select_first_model =
true
31 ,
bool noradii =
false
42 bool select_first_model =
true
44 ,
bool noradii =
false
47 std::string filename = input.get_name();
48 if (filename.find(
".cif") == filename.size() - 4) {
49 return read_mmcif(input, model, selector, select_first_model, noradii);
51 return read_pdb(input, model, selector, select_first_model, noradii);
63 ,
bool noradii =
false
66 std::string filename = input.get_name();
67 if (filename.find(
".cif") == filename.size() - 4) {
Hierarchy read_pdb_or_mmcif(TextInput input, Model *model, PDBSelector *selector=get_default_pdb_selector(), bool select_first_model=true)
Read all the molecules in the first model of the PDB or mmCIF file.
Hierarchy read_mmcif(TextInput input, Model *model, PDBSelector *selector=get_default_pdb_selector(), bool select_first_model=true)
Read all the molecules in the first model of the mmCIF file.
Class for storing model, its restraints, constraints, and particles.
Hierarchies read_multimodel_mmcif(TextInput input, Model *model, PDBSelector *selector=get_default_pdb_selector())
Read all models from the mmCIF file.
Decorator for helping deal with a hierarchy of molecules.
The standard decorator for manipulating molecular structures.
Hierarchy read_pdb(TextInput input, Model *model, PDBSelector *selector=get_default_pdb_selector(), bool select_first_model=true)
Read all the molecules in the first model of the PDB file.
Hierarchies read_multimodel_pdb_or_mmcif(TextInput input, Model *model, PDBSelector *selector=get_default_pdb_selector())
Read all models from the PDB or mmCIF file.
Hierarchies read_multimodel_pdb(TextInput input, Model *model, PDBSelector *selector=get_default_pdb_selector())
Select which atoms to read from a PDB file.