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] |