|
addAllRecords_(const PDBInfo &info, PDB::RecordType
type) |
BALL::PDBFile |
[protected] |
| atom_map_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
|
book_keeping_ |
BALL::PDBFile |
[protected] |
| chain_ID_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
|
clear(int state) |
BALL::PDBFile |
[virtual] |
|
clear() |
BALL::PDBFile |
[virtual] |
|
clearProperty(Property property) |
BALL::PropertyManager |
|
|
clearProperty(const string &name) |
BALL::PropertyManager |
|
| close() |
BALL::File |
|
| code_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| compare_record_type_format_ (defined in
BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| copy(String
source_name, String destination_name, Size
buffer_size=4096) |
BALL::File |
[static] |
| copyTo(const
String &destination_name, Size buffer_size=4096) |
BALL::File |
|
|
countNamedProperties() const |
BALL::PropertyManager |
|
|
countProperties() const |
BALL::PropertyManager |
|
|
countRecord(PDB::RecordType record_type, bool
from_begin_of_file=true) |
BALL::PDBFile |
|
|
countRecordFields() const |
BALL::PDBFile |
|
|
countRecords(bool from_begin_of_file=true) |
BALL::PDBFile |
|
| createTemporaryFilename(String
&temporary) |
BALL::File |
[static] |
| current_chain_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| current_const_atom_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| current_const_chain_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| current_const_protein_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| current_const_residue_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| current_model_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| current_PDB_atom_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| current_protein_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| current_record_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| current_record_type_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| current_residue_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
|
destroy() |
BALL::PropertyManager |
[virtual] |
| disableTransformation(Transformation
transformation) (defined in BALL::File) |
BALL::File |
[static] |
|
dump(std::ostream &s=std::cout, Size depth=0)
const |
BALL::PropertyManager |
|
| enableTransformation(Transformation
transformation) (defined in BALL::File) |
BALL::File |
[static] |
|
enableTrimWhitespaces(bool state) |
BALL::LineBasedFile |
|
|
extractStructure_(const AtomContainer &ac,
PDB::Structure &structure) |
BALL::PDBFile |
[protected, static] |
| File() |
BALL::File |
|
| File(const
String &name, OpenMode open_mode=std::ios::in) |
BALL::File |
|
| File(const
File &file) |
BALL::File |
|
| fillRecord(const char *line, Size size,
PDB::RecordANISOU &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordATOM &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordAUTHOR &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordCAVEAT &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordCISPEP &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordCOMPND &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordCONECT &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordCRYST1 &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordDBREF &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordEND &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordENDMDL &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordEXPDTA &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordFORMUL &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordFTNOTE &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordHEADER &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordHELIX &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordHET &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordHETATM &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordHETNAM &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordHETSYN &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordHYDBND &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordJRNL &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordKEYWDS &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordLINK &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordMASTER &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordMODEL &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordMODRES &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordMTRIX1 &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordMTRIX2 &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordMTRIX3 &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordOBSLTE &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordORIGX1 &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordORIGX2 &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordORIGX3 &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordREMARK &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordREVDAT &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordSCALE1 &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordSCALE2 &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordSCALE3 &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordSEQADV &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordSEQRES &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordSHEET &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordSIGATM &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordSIGUIJ &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordSITE &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordSLTBRG &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordSOURCE &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordSPRSDE &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordSSBOND &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordTER &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordTITLE &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordTURN &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| fillRecord(const char *line, Size size,
PDB::RecordTVECT &record) (defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
|
GenericMolFile() |
BALL::GenericMolFile |
|
|
GenericMolFile(const String &filename,
File::OpenMode open_mode=std::ios::in) |
BALL::GenericMolFile |
|
|
GenericMolFile(const GenericMolFile &file) |
BALL::GenericMolFile |
|
|
get(PropertyManager &property_manager) const |
BALL::PropertyManager |
|
|
getAtomBranchDesignator(const PDB::Atom atom_name) |
BALL::PDBFile |
[virtual] |
|
getAtomElementSymbol(const PDB::Atom atom_name,
PDB::Atom element_symbol) |
BALL::PDBFile |
[virtual] |
|
getAtomName(const PDB::Atom atom_name) |
BALL::PDBFile |
[virtual] |
|
getAtomRemotenessIndicator(const PDB::Atom
atom_name) |
BALL::PDBFile |
[virtual] |
|
getBitVector() |
BALL::PropertyManager |
|
|
getBitVector() const |
BALL::PropertyManager |
|
|
getCurrentModel() const |
BALL::PDBFile |
|
|
getField(Index pos=0, const String "es="",
const String
&delimiters=String::CHARACTER_CLASS__WHITESPACE)
const |
BALL::LineBasedFile |
|
| getFileStream() |
BALL::File |
|
|
getLine() const |
BALL::LineBasedFile |
|
|
getLine() |
BALL::LineBasedFile |
|
|
getLineNumber() const |
BALL::LineBasedFile |
|
| getName()
const |
BALL::File |
|
|
getNamedProperty(Position index) const |
BALL::PropertyManager |
|
|
getNamedProperty(Position index) |
BALL::PropertyManager |
|
| getOpenMode()
const |
BALL::File |
|
| getOriginalName() const (defined in BALL::File) |
BALL::File |
|
|
getProperty(const string &name) const |
BALL::PropertyManager |
|
|
getRecordNumber() const |
BALL::PDBFile |
|
|
getRecordString() |
BALL::PDBFile |
|
|
getRecordString() const |
BALL::PDBFile |
|
|
getRecordType() const |
BALL::PDBFile |
|
|
getSelectedModel() const |
BALL::PDBFile |
|
| getSize() |
BALL::File |
|
| getSize(String
name) |
BALL::File |
[static] |
| getTransformationManager() |
BALL::File |
|
| getTransformationManager()
const |
BALL::File |
|
| getType(String
name, bool trace_link) |
BALL::File |
[static] |
| getType(bool
trace_link) const |
BALL::File |
|
|
getVersion() const |
BALL::PDBFile |
[virtual] |
|
gotoLine(Position line_number) |
BALL::LineBasedFile |
|
|
has(const String &text) const |
BALL::LineBasedFile |
|
|
hasFormat() |
BALL::PDBFile |
[virtual] |
|
hasProperty(Property property) const |
BALL::PropertyManager |
|
|
hasProperty(const string &name) const |
BALL::PropertyManager |
|
| helix_list_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
|
ignore_xplor_pseudo_atoms_ |
BALL::PDBFile |
[protected] |
|
info |
BALL::PDBFile |
|
| init_() (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
|
initRead_() |
BALL::GenericMolFile |
[protected, virtual] |
|
initWrite_() |
BALL::GenericMolFile |
[protected, virtual] |
| insertion_code_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
|
interpretRecord(const PDB::RecordANISOU
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordATOM &record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordAUTHOR
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordCAVEAT
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordCISPEP
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordCOMPND
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordCONECT
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordCRYST1
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordDBREF
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordEND &record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordENDMDL
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordEXPDTA
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordFORMUL
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordFTNOTE
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordHEADER
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordHELIX
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordHET &record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordHETATM
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordHETNAM
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordHETSYN
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordHYDBND
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordJRNL &record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordKEYWDS
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordLINK &record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordMASTER
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordMODEL
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordMODRES
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordMTRIX1
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordMTRIX2
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordMTRIX3
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordOBSLTE
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordORIGX1
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordORIGX2
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordORIGX3
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordREMARK
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordREVDAT
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordSCALE1
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordSCALE2
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordSCALE3
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordSEQADV
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordSEQRES
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordSHEET
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordSIGATM
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordSIGUIJ
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordSITE &record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordSLTBRG
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordSOURCE
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordSPRSDE
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordSSBOND
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordTER &record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordTITLE
&record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordTURN &record) |
BALL::PDBFile |
[virtual] |
|
interpretRecord(const PDB::RecordTVECT
&record) |
BALL::PDBFile |
[virtual] |
| is_open_ (defined in BALL::File) |
BALL::File |
[protected] |
| is_temporary_ (defined in BALL::File) |
BALL::File |
[protected] |
| isAccessible(String
name) |
BALL::File |
[static] |
| isAccessible()
const |
BALL::File |
|
| isCanonized()
const |
BALL::File |
|
| isClosed()
const |
BALL::File |
|
| isExecutable(String
name) |
BALL::File |
[static] |
| isExecutable()
const |
BALL::File |
|
|
isHeteroAtom_(const Atom &atom) |
BALL::PDBFile |
[protected, static] |
| isOpen()
const |
BALL::File |
|
| isReadable(String
name) |
BALL::File |
[static] |
| isReadable()
const |
BALL::File |
|
| isTransformationEnabled(Transformation
transformation) (defined in BALL::File) |
BALL::File |
[static] |
| BALL::isValid()
const |
BALL::File |
|
|
BALL::PropertyManager::isValid() const |
BALL::PropertyManager |
|
| isWritable(String
name) |
BALL::File |
[static] |
| isWritable()
const |
BALL::File |
|
|
line_ |
BALL::LineBasedFile |
[protected] |
| line_buffer_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
|
line_number_ |
BALL::LineBasedFile |
[protected] |
|
LineBasedFile() |
BALL::LineBasedFile |
|
|
LineBasedFile(const String &filename,
File::OpenMode open_mode=std::ios::in, bool
trim_whitespaces=false) |
BALL::LineBasedFile |
|
|
LineBasedFile(const LineBasedFile &f) |
BALL::LineBasedFile |
|
| MODE_APP |
BALL::File |
[static] |
| MODE_ATE |
BALL::File |
[static] |
| MODE_BINARY |
BALL::File |
[static] |
| MODE_IN |
BALL::File |
[static] |
| MODE_OUT |
BALL::File |
[static] |
| MODE_TRUNC |
BALL::File |
[static] |
| move(const
String &source_name, const String
&destination_name) |
BALL::File |
[static] |
| moveTo(const
String &destination_name) |
BALL::File |
|
| name_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| new_helix_secstruc_list_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| new_sheet_secstruc_list_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| new_turn_secstruc_list_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| open(const
String &name, File::OpenMode
open_mode=std::ios::in) |
BALL::File |
|
| open_mode_ (defined in BALL::File) |
BALL::File |
[protected] |
| OpenMode
typedef |
BALL::File |
|
|
operator BitVector &() |
BALL::PropertyManager |
|
|
BALL::operator!=(const LineBasedFile &f) |
BALL::LineBasedFile |
|
| BALL::File::operator!=(const
File &file) const |
BALL::File |
|
|
BALL::PropertyManager::operator!=(const PropertyManager
&pm) const |
BALL::PropertyManager |
|
|
operator<<(const Protein &protein) |
BALL::PDBFile |
|
|
operator<<(const System &system) |
BALL::PDBFile |
[virtual] |
|
operator<<(const Molecule &molecule) |
BALL::PDBFile |
[virtual] |
| operator=(const PDBFile &pdbf) (defined in
BALL::PDBFile) |
BALL::PDBFile |
[protected] |
|
BALL::GenericMolFile::operator=(const GenericMolFile
&rhs) |
BALL::GenericMolFile |
|
|
BALL::LineBasedFile::operator=(const LineBasedFile
&file) |
BALL::LineBasedFile |
|
| BALL::File::operator=(const
File &file) |
BALL::File |
|
|
BALL::PropertyManager::operator=(const PropertyManager
&property_manager) |
BALL::PropertyManager |
|
|
BALL::operator==(const LineBasedFile &f) |
BALL::LineBasedFile |
|
| BALL::File::operator==(const
File &file) const |
BALL::File |
|
|
BALL::PropertyManager::operator==(const PropertyManager
&pm) const |
BALL::PropertyManager |
|
|
operator>>(Protein &protein) |
BALL::PDBFile |
|
|
operator>>(Molecule &molecule) |
BALL::PDBFile |
[virtual] |
|
operator>>(System &system) |
BALL::PDBFile |
[virtual] |
|
options |
BALL::PDBFile |
|
| original_name_ (defined in BALL::File) |
BALL::File |
[protected] |
|
parse_partial_charges_ |
BALL::PDBFile |
[protected] |
|
parseColumnFormat(const char *format, Position index,
Size length, void *arg) |
BALL::LineBasedFile |
|
|
parseLine(const char *line, Size size, const char
*format_string,...) |
BALL::PDBFile |
|
| parseRecordANISOU(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordATOM(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordAUTHOR(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordCAVEAT(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordCISPEP(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordCOMPND(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordCONECT(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordCRYST1(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordDBREF(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordEND(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordENDMDL(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordEXPDTA(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordFORMUL(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordFTNOTE(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordHEADER(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordHELIX(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordHET(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordHETATM(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordHETNAM(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordHETSYN(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordHYDBND(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordJRNL(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordKEYWDS(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordLINK(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordMASTER(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordMODEL(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordMODRES(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordMTRIX1(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordMTRIX2(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordMTRIX3(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordOBSLTE(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordORIGX1(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordORIGX2(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordORIGX3(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordREMARK(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordREVDAT(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordSCALE1(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordSCALE2(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordSCALE3(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordSEQADV(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordSEQRES(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordSHEET(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordSIGATM(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordSIGUIJ(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordSITE(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordSLTBRG(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordSOURCE(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordSPRSDE(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordSSBOND(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordTER(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordTITLE(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordTURN(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| parseRecordTVECT(const char *line, Size size)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[virtual] |
| PDB_atom_map_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| PDBAtomMap typedef (defined in BALL::PDBFile) |
BALL::PDBFile |
|
|
PDBFile() |
BALL::PDBFile |
|
|
PDBFile(const String &filename, File::OpenMode
open_mode=std::ios::in) |
BALL::PDBFile |
|
|
PDBFile(const Options &new_options) |
BALL::PDBFile |
|
|
PDBFile(const PDBFile &file) |
BALL::PDBFile |
|
| PDBFile(const File &pdbf) (defined in
BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| postprocessHelices_() (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| postprocessRandomCoils_() (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| postprocessSheetsTurns_(QuadrupleList
§ruct_list, SecStructList &new_secstruct_list)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| postprocessSSBonds_() (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
|
PropertyManager() |
BALL::PropertyManager |
|
|
PropertyManager(const PropertyManager
&property_manager) |
BALL::PropertyManager |
|
| QuadrupleList typedef (defined in BALL::PDBFile) |
BALL::PDBFile |
|
| read(Protein &protein) (defined in BALL::PDBFile) |
BALL::PDBFile |
|
| read(Molecule &protein) (defined in
BALL::PDBFile) |
BALL::PDBFile |
|
|
read(System &system) |
BALL::PDBFile |
[virtual] |
|
read() |
BALL::PDBFile |
[virtual] |
|
BALL::PropertyManager::read(PersistenceManager
&pm) |
BALL::PropertyManager |
|
|
readFirstRecord(bool read_values=true) |
BALL::PDBFile |
|
|
readInvalidRecord(const char *line) |
BALL::PDBFile |
[virtual] |
|
readLine(char *line, Size size, bool
extract_values) |
BALL::PDBFile |
|
|
BALL::GenericMolFile::readLine() |
BALL::LineBasedFile |
|
|
readNextRecord(bool read_values=true) |
BALL::PDBFile |
|
|
readRecords() |
BALL::PDBFile |
|
|
readUnknownRecord(const char *line) |
BALL::PDBFile |
[virtual] |
| record_fields_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| registerTransformation(const String
&pattern, const String &exec) (defined in BALL::File) |
BALL::File |
[static] |
| remove(String
name) |
BALL::File |
[static] |
| remove() |
BALL::File |
|
| rename(String
old_path, String new_path) |
BALL::File |
[static] |
| renameTo(const
String &new_path) |
BALL::File |
|
| reopen() |
BALL::File |
|
| reopen(File::OpenMode
open_mode) |
BALL::File |
|
| residue_map_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| residue_name_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| residue_sequence_number_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| ResidueMap typedef (defined in BALL::PDBFile) |
BALL::PDBFile |
|
| ResidueQuadruple typedef (defined in BALL::PDBFile) |
BALL::PDBFile |
|
|
rewind() |
BALL::LineBasedFile |
|
|
search(const String &text, bool
return_to_start=false) |
BALL::LineBasedFile |
|
| search(const String &text, const String
&stop, bool return_to_start=false) (defined in
BALL::LineBasedFile) |
BALL::LineBasedFile |
|
| SecStructList typedef (defined in BALL::PDBFile) |
BALL::PDBFile |
|
|
selectAllModels() |
BALL::PDBFile |
|
|
selected_model_ |
BALL::PDBFile |
[protected] |
|
selectModel(Index index) |
BALL::PDBFile |
|
| sequence_number_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
|
set(const PropertyManager &property_manager) |
BALL::PropertyManager |
|
| setName(const
String &name) |
BALL::File |
|
|
setProperty(Property property) |
BALL::PropertyManager |
|
|
setProperty(const NamedProperty &property) |
BALL::PropertyManager |
|
|
setProperty(const string &name) |
BALL::PropertyManager |
|
|
setProperty(const string &name, bool value) |
BALL::PropertyManager |
|
|
setProperty(const string &name, int value) |
BALL::PropertyManager |
|
|
setProperty(const string &name, unsigned int
value) |
BALL::PropertyManager |
|
|
setProperty(const string &name, float value) |
BALL::PropertyManager |
|
|
setProperty(const string &name, double value) |
BALL::PropertyManager |
|
|
setProperty(const string &name, const string
&value) |
BALL::PropertyManager |
|
|
setProperty(const string &name, const
PersistentObject &value) |
BALL::PropertyManager |
|
| sheet_list_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
|
skipCurrentRecord() |
BALL::PDBFile |
|
|
skipLines(Size number=1) |
BALL::LineBasedFile |
|
| ssbond_list_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
|
startsWith(const String &text) const |
BALL::LineBasedFile |
|
|
store_skipped_records_ |
BALL::PDBFile |
[protected] |
| strict_line_checking_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
|
swap(PropertyManager &property_manager) |
BALL::PropertyManager |
|
|
switchString(const std::vector< String >
&data) const |
BALL::LineBasedFile |
|
|
test(const char *file, int line, bool condition, const
String &msg) const |
BALL::LineBasedFile |
|
|
toggleProperty(Property property) |
BALL::PropertyManager |
|
| Transformation
enum name |
BALL::File |
|
| TRANSFORMATION__EXEC enum value (defined in
BALL::File) |
BALL::File |
|
| TRANSFORMATION__FILTER enum value (defined in
BALL::File) |
BALL::File |
|
| TRANSFORMATION__URL enum value (defined in
BALL::File) |
BALL::File |
|
| TRANSFORMATION_EXEC_PREFIX |
BALL::File |
[static] |
| TRANSFORMATION_FILE_PREFIX |
BALL::File |
[static] |
| TRANSFORMATION_FTP_PREFIX |
BALL::File |
[static] |
| TRANSFORMATION_HTTP_PREFIX |
BALL::File |
[static] |
| transformation_manager_ (defined in BALL::File) |
BALL::File |
[protected, static] |
| transformation_methods_ (defined in BALL::File) |
BALL::File |
[protected, static] |
| trim_whitespaces_ (defined in BALL::LineBasedFile) |
BALL::LineBasedFile |
[protected] |
| trimWhiteSpacesEnabled() const (defined in
BALL::LineBasedFile) |
BALL::LineBasedFile |
|
| truncate(String
path, Size size=0) |
BALL::File |
[static] |
| truncate(Size
size=0) |
BALL::File |
|
| turn_list_ (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| Type
enum name |
BALL::File |
|
| TYPE__BLOCK_SPECIAL_FILE enum value (defined in
BALL::File) |
BALL::File |
|
| TYPE__CHAR_SPECIAL_FILE enum value (defined in
BALL::File) |
BALL::File |
|
| TYPE__DIRECTORY enum value (defined in BALL::File) |
BALL::File |
|
| TYPE__FIFO_SPECIAL_FILE enum value (defined in
BALL::File) |
BALL::File |
|
| TYPE__REGULAR_FILE enum value (defined in
BALL::File) |
BALL::File |
|
| TYPE__SOCKET enum value (defined in BALL::File) |
BALL::File |
|
| TYPE__SYMBOLIC_LINK enum value (defined in
BALL::File) |
BALL::File |
|
| TYPE__UNKNOWN enum value (defined in BALL::File) |
BALL::File |
|
| unregisterTransformation(const String
&pattern) (defined in BALL::File) |
BALL::File |
[static] |
|
updateAdditionalAtomInfo_(const
PDB::Structure::AtomEntry &atom,
PDB::AdditionalAtomInfo &cr) |
BALL::PDBFile |
[protected, static] |
|
verbosity_ |
BALL::PDBFile |
[protected] |
| write(const Protein &protein) (defined in
BALL::PDBFile) |
BALL::PDBFile |
|
|
write(const Molecule &molecule) |
BALL::PDBFile |
[virtual] |
|
write(const System &system) |
BALL::PDBFile |
[virtual] |
| write(const System &system, const PDBInfo
&info) (defined in BALL::PDBFile) |
BALL::PDBFile |
|
|
BALL::PropertyManager::write(PersistenceManager
&pm) const |
BALL::PropertyManager |
|
| write_(const AtomContainer &ac, const
PDBInfo &info=PDBInfo()) (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| writeAtom_(const PDB::Structure::AtomEntry
&atom, PDB::AdditionalAtomInfo &cr, bool
hetatm=false) (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| writeBookKeepingSection_(const PDB::Structure
&structure, const PDBInfo &info) (defined in
BALL::PDBFile) |
BALL::PDBFile |
[protected] |
|
writeCONECTRecords_(PDB::Structure::ConectAtomList
&cl) (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| writeConnectivityAnnotationSection_(const
PDB::Structure &structure, const PDBInfo &info)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| writeConnectivitySection_(const PDB::Structure
&structure, const PDBInfo &info) (defined in
BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| writeCoordinateSection_(const PDB::Structure
&structure, const PDBInfo &info) (defined in
BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| writeCrystallographicSection_(const
PDB::Structure &structure, const PDBInfo &info)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| writeHELIXSection_(const PDB::Structure
&structure) (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| writeHeterogenSection_(const PDB::Structure
&structure, const PDBInfo &info) (defined in
BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| writeHYDBNDSection_(const PDB::Structure
&structure) (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| writeMiscellaneousFeaturesSection_(const
PDB::Structure &structure, const PDBInfo &info)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| writePrimaryStructureSection_(const
PDB::Structure &structure, const PDBInfo &info)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
|
writeRawRecord_(const char *format, const char
*tag,...) |
BALL::PDBFile |
[protected] |
|
writeRecord_(PDB::RecordType record,...) |
BALL::PDBFile |
[protected] |
|
writeRecord_(const PDB::RecordSEQRES &seqres) |
BALL::PDBFile |
[protected] |
|
writeRecord_(const PDB::RecordHELIX &helix) |
BALL::PDBFile |
[protected] |
|
writeRecord_(const PDB::RecordSHEET &helix) |
BALL::PDBFile |
[protected] |
|
writeRecord_(const PDB::RecordTURN &helix) |
BALL::PDBFile |
[protected] |
|
writeRecord_(const PDB::RecordSSBOND &helix) |
BALL::PDBFile |
[protected] |
|
writeRecord_(const PDB::RecordCONECT &helix) |
BALL::PDBFile |
[protected] |
| writeSecondaryStructureSection_(const
PDB::Structure &structure, const PDBInfo &info)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| writeSEQRESSection_(const std::vector<
std::pair< char, String > > &chain_residues)
(defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| writeSHEETSection_(const PDB::Structure
&structure) (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| writeSLTBRGSection_(const PDB::Structure
&structure) (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| writeSSBONDSection_(const PDB::Structure
&structure) (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| writeTitleSection_(const PDB::Structure
&structure, const PDBInfo &info) (defined in
BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| writeTURNSection_(const PDB::Structure
&structure) (defined in BALL::PDBFile) |
BALL::PDBFile |
[protected] |
| ~File() |
BALL::File |
[virtual] |
|
~GenericMolFile() |
BALL::GenericMolFile |
[virtual] |
|
~PDBFile() |
BALL::PDBFile |
[virtual] |
|
~PropertyManager() |
BALL::PropertyManager |
[virtual] |