container class for additional information from MMCif files More...
#include <mmcif_info.hh>
container class for additional information from MMCif files
MMCif files contain loads of additional information beside coordinates. This class is set up to capture some of it. In detail, we have:
Definition at line 869 of file mmcif_info.hh.
MMCifInfo | ( | ) | [inline] |
Create an info object.
Definition at line 872 of file mmcif_info.hh.
MMCifInfo | ( | ) | [inline] |
Create an info object.
Definition at line 872 of file mmcif_info.hh.
Add a list of authors to a specific citation.
id | identifier of the citation to be modified. | |
list | list of authors to be added. |
Add a list of authors to a specific citation.
id | identifier of the citation to be modified. | |
list | list of authors to be added. |
void AddBioUnit | ( | MMCifInfoBioUnit | bu | ) |
Add a biounit.
bu | biounit to be added |
void AddBioUnit | ( | MMCifInfoBioUnit | bu | ) |
Add a biounit.
bu | biounit to be added |
void AddCitation | ( | MMCifInfoCitation | citation | ) | [inline] |
Add an item to the list of citations.
citation | to be added |
Definition at line 877 of file mmcif_info.hh.
void AddCitation | ( | MMCifInfoCitation | citation | ) | [inline] |
Add an item to the list of citations.
citation | to be added |
Definition at line 877 of file mmcif_info.hh.
Add a new mmCIF chain name / entity ID tuple.
cif | chain name as used by the mmCIF file (label_asym_id) | |
ent_id | entity ID as used by the mmCIF file (label_entity_id) |
Add a new mmCIF chain name / entity ID tuple.
cif | chain name as used by the mmCIF file (label_asym_id) | |
ent_id | entity ID as used by the mmCIF file (label_entity_id) |
Add a new mmCIF/ PDB chain name tuple.
cif | chain name as used by the mmCIF file (label_asym_id) | |
pdb | chain name as used in the PDB file (auth_asym_id) |
Add a new mmCIF/ PDB chain name tuple.
cif | chain name as used by the mmCIF file (label_asym_id) | |
pdb | chain name as used in the PDB file (auth_asym_id) |
void AddOperation | ( | MMCifInfoTransOpPtr | op | ) | [inline] |
void AddOperation | ( | MMCifInfoTransOpPtr | op | ) | [inline] |
Add a new PDB/ mmCIF chain name tuple.
pdb | chain name as used by the PDB file (auth_asym_id) | |
cif | chain name as used in the mmCIF file (label_asym_id) |
Add a new PDB/ mmCIF chain name tuple.
pdb | chain name as used by the PDB file (auth_asym_id) | |
cif | chain name as used in the mmCIF file (label_asym_id) |
Add a revision to history.
num | unique identifier | |
date | date of revision | |
status | status of the revision |
Definition at line 1054 of file mmcif_info.hh.
Add a revision to history.
num | unique identifier | |
date | date of revision | |
status | status of the revision |
Definition at line 1054 of file mmcif_info.hh.
const std::vector<MMCifInfoBioUnit>& GetBioUnits | ( | ) | const [inline] |
Get the list of biounits stored in an info object.
Definition at line 983 of file mmcif_info.hh.
const std::vector<MMCifInfoBioUnit>& GetBioUnits | ( | ) | const [inline] |
Get the list of biounits stored in an info object.
Definition at line 983 of file mmcif_info.hh.
const std::vector<MMCifInfoCitation>& GetCitations | ( | ) | const [inline] |
Get the list of citations stored in an info object.
Definition at line 891 of file mmcif_info.hh.
const std::vector<MMCifInfoCitation>& GetCitations | ( | ) | const [inline] |
Get the list of citations stored in an info object.
Definition at line 891 of file mmcif_info.hh.
const StringRef GetMethod | ( | ) | const [inline] |
Get an experimental method.
Definition at line 904 of file mmcif_info.hh.
const StringRef GetMethod | ( | ) | const [inline] |
Get an experimental method.
Definition at line 904 of file mmcif_info.hh.
Get the entity ID for a CIF chain name.
cif | chain name as used by the mmCIF file (label_asym_id) |
Get the entity ID for a CIF chain name.
cif | chain name as used by the mmCIF file (label_asym_id) |
Get a PDB chain name for a CIF chain name.
cif | chain name as used by the mmCIF file (label_asym_id) |
Get a PDB chain name for a CIF chain name.
cif | chain name as used by the mmCIF file (label_asym_id) |
MMCifInfoObsolete GetObsoleteInfo | ( | ) | const [inline] |
Get information on an obsolete entries.
Definition at line 1031 of file mmcif_info.hh.
MMCifInfoObsolete GetObsoleteInfo | ( | ) | const [inline] |
Get information on an obsolete entries.
Definition at line 1031 of file mmcif_info.hh.
const std::vector<MMCifInfoTransOpPtr>& GetOperations | ( | ) | const [inline] |
Get the list of operations stored in an info object.
Definition at line 999 of file mmcif_info.hh.
const std::vector<MMCifInfoTransOpPtr>& GetOperations | ( | ) | const [inline] |
Get the list of operations stored in an info object.
Definition at line 999 of file mmcif_info.hh.
Get a CIF chain name for a PDB chain name.
pdb | chain name as used by the mmCIF file (auth_asym_id) |
Get a CIF chain name for a PDB chain name.
pdb | chain name as used by the mmCIF file (auth_asym_id) |
Real GetResolution | ( | ) | const [inline] |
Real GetResolution | ( | ) | const [inline] |
MMCifInfoRevisions GetRevisions | ( | ) | const [inline] |
MMCifInfoRevisions GetRevisions | ( | ) | const [inline] |
Real GetRFree | ( | ) | const [inline] |
Real GetRFree | ( | ) | const [inline] |
Real GetRWork | ( | ) | const [inline] |
Real GetRWork | ( | ) | const [inline] |
const MMCifInfoStructDetails GetStructDetails | ( | ) | const [inline] |
Get the list of details about structures.
Definition at line 1015 of file mmcif_info.hh.
const MMCifInfoStructDetails GetStructDetails | ( | ) | const [inline] |
Get the list of details about structures.
Definition at line 1015 of file mmcif_info.hh.
const MMCifInfoStructRefs& GetStructRefs | ( | ) | const [inline] |
Definition at line 1035 of file mmcif_info.hh.
const MMCifInfoStructRefs& GetStructRefs | ( | ) | const [inline] |
Definition at line 1035 of file mmcif_info.hh.
void SetMethod | ( | String | method | ) | [inline] |
Set an experimental method.
method | Method description |
Definition at line 899 of file mmcif_info.hh.
void SetMethod | ( | String | method | ) | [inline] |
Set an experimental method.
method | Method description |
Definition at line 899 of file mmcif_info.hh.
void SetObsoleteInfo | ( | MMCifInfoObsolete | obsolete | ) | [inline] |
Add a block of information on obsolete entries.
obsolete |
Definition at line 1023 of file mmcif_info.hh.
void SetObsoleteInfo | ( | MMCifInfoObsolete | obsolete | ) | [inline] |
Add a block of information on obsolete entries.
obsolete |
Definition at line 1023 of file mmcif_info.hh.
void SetResolution | ( | Real | res | ) | [inline] |
void SetResolution | ( | Real | res | ) | [inline] |
void SetRevisionsDateOriginal | ( | String | date | ) | [inline] |
void SetRevisionsDateOriginal | ( | String | date | ) | [inline] |
void SetRFree | ( | Real | r_free | ) | [inline] |
Set R-free value.
res | experiment R-free value |
Definition at line 922 of file mmcif_info.hh.
void SetRFree | ( | Real | r_free | ) | [inline] |
Set R-free value.
res | experiment R-free value |
Definition at line 922 of file mmcif_info.hh.
void SetRWork | ( | Real | r_work | ) | [inline] |
Set R-work value.
r_work | experiment R-work value |
Definition at line 932 of file mmcif_info.hh.
void SetRWork | ( | Real | r_work | ) | [inline] |
Set R-work value.
r_work | experiment R-work value |
Definition at line 932 of file mmcif_info.hh.
void SetStructDetails | ( | MMCifInfoStructDetails | details | ) | [inline] |
Add a set of structure details.
details | info block to be added |
Definition at line 1007 of file mmcif_info.hh.
void SetStructDetails | ( | MMCifInfoStructDetails | details | ) | [inline] |
Add a set of structure details.
details | info block to be added |
Definition at line 1007 of file mmcif_info.hh.
void SetStructRefs | ( | const MMCifInfoStructRefs & | sr | ) | [inline] |
Definition at line 1036 of file mmcif_info.hh.
void SetStructRefs | ( | const MMCifInfoStructRefs & | sr | ) | [inline] |
Definition at line 1036 of file mmcif_info.hh.