CAtomSelection

CCP4Data.CData -> CCP4ModelData.CAtomSelection

Contents of class:

text

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CBlastData

CCP4Data.CData -> CCP4File.CDataFileContent -> CCP4ModelData.CBlastData

Contents of class:

queryId	CString
alignmentList	CList

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CBlastDataFile

CCP4Data.CData -> CCP4File.CDataFile -> CCP4ModelData.CBlastDataFile

Contents of class:

dbFileId	CUUID
contentFlag	CInt
baseName	CFilePath
project	CProjectId
subType	CInt
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	Blast results
guiDefinition	dict	{}
helpFile	str	model_data#ali
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['bla', 'blast', 'xml']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	application/Blast-alignments
mimeTypeDescription	str	Blast sequence search results
fileLabel	str	Blast sequence search	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	CBlastData	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags

CBlastItem

CCP4Data.CData -> CCP4ModelData.CBlastItem

Contents of class:

hitSequence	CString
hitId	CString
querySequence	CString

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CChemComp

CCP4Data.CData -> CCP4ModelData.CChemComp

Contents of class:

number_atoms_all	CInt
group	CString
name	CString
desc_level	CInt
number_atoms_nh	CInt
three_letter_code	COneWord
id	COneWord

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CContainsSeMet

CCP4Data.CData -> CCP4Data.CBaseData -> CCP4Data.CBoolean -> CCP4ModelData.CContainsSeMet

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	bool	False
toolTip	str	Does structure contain selenomethionine?
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
charWidth	int	10

CDictData

CCP4Data.CData -> CCP4ModelData.CDictData

Contents of class:

monomerList

CList

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CDictDataFile: A refmac dictionary file

CCP4Data.CData -> CCP4File.CDataFile -> CCP4ModelData.CDictDataFile

Contents of class:

dbFileId	CUUID
contentFlag	CInt
baseName	CFilePath
project	CProjectId
subType	CInt
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	Idealised geometry of ligands for refinement
guiLabel	str	Geometry dictionary
guiDefinition	dict	{}
helpFile	str	model_data#ligand_geometry
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['cif']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	application/refmac-dictionary
mimeTypeDescription	str	Geometry file
fileLabel	str	dictionary	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	CDictData	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags

CElement: Chemical element

CCP4Data.CData -> CCP4Data.CBaseData -> CCP4Data.CString -> CCP4Data.COneWord -> CCP4ModelData.CElement

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	str	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
charWidth	int	-1
minLength	int	None	Minimum length of string
maxLength	int	None	Maximum length of string
onlyEnumerators	bool	True	If this is true then the enumerators are obligatory - otherwise they are treated as recommended values
enumerators	list	['H', 'He', 'Li', 'Be', 'B', 'C', 'N', 'O', 'F', 'Ne', 'Na', 'Mg', 'Al', 'Si', 'P', 'S', 'Cl', 'Ar', 'K', 'Ca', 'Sc', 'Ti', 'V', 'Cr', 'Mn', 'Fe', 'Co', 'Ni', 'Cu', 'Zn', 'Ga', 'Ge', 'As', 'Se', 'Br', 'Kr', 'Rb', 'Sr', 'Y', 'Zr', 'Nb', 'Mo', 'Tc', 'Ru', 'Rh', 'Pd', 'Ag', 'Cd', 'In', 'Sn', 'Sb', 'Te', 'I', 'Xe', 'Cs', 'Ba', 'La', 'Ce', 'Pr', 'Nd', 'Pm', 'Sm', 'Eu', 'Gd', 'Tb', 'Dy', 'Ho', 'Er', 'Tm', 'Yb', 'Lu', 'Hf', 'Ta', 'W', 'Re', 'Os', 'Ir', 'Pt', 'Au', 'Hg', 'Tl', 'Pb', 'Bi', 'Po', 'At', 'Rn', 'Fr', 'Ra', 'Ac', 'Th', 'Pa', 'U', 'Np', 'Pu', 'Am', 'Cm', 'Bk', 'Cf', 'Es', 'Fm', 'Md', 'No', 'Lr', 'Rf', 'Db', 'Sg', 'Bh', 'Hs', 'Mt', 'Ds', 'Rg', 'Cn']	A list of allowed or recommended values for string
menuText	list	[]	A list of strings equivalent to the enumerators that will appear in the GUI
allowedCharsCode	int	0	Flag if the text is limited to set of allowed characters

CEnsemble: An ensemble of models. Typically, this would be a set of related PDB files, but models could also be xtal or EM maps. This should be indicated by the types entry. A single ensemble is a CList of structures.

CCP4Data.CData -> CCP4ModelData.CEnsemble

Contents of class:

use	CBoolean
pdbItemList	CList
number	CInt
label	COneWord

Qualifiers for class:

allowUndefined	bool	False
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	Ensemble
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CEnsembleList

CCP4Data.CData -> CCP4Data.CCollection -> CCP4Data.CList -> CCP4ModelData.CEnsembleList

Contents of class:

List of CEnsemble

Qualifiers for class:

allowUndefined	bool	True
default	list	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
listMinLength	int	1	Inclusive minimum length of list
listMaxLength	int	NotImplemented	Inclusive maximum length of list
listCompare	int	NotImplemented	If has value 1/-1 consecutive items in list must be greater/less than preceeding item. The list item class must have a __cmp__() method.

CEnsemblePdbDataFile: A PDB coordinate file containing ensemble of structures as 'NMR' models

CCP4Data.CData -> CCP4File.CDataFile -> CCP4ModelData.CPdbDataFile -> CCP4ModelData.CEnsemblePdbDataFile

Contents of class:

project	CProjectId
subType	CInt
dbFileId	CUUID
contentFlag	CInt
selection	CAtomSelection
baseName	CFilePath
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	An ensemble of model coordinates in PDB or mmCIF format
guiLabel	str	Model ensemble
guiDefinition	dict	{}
helpFile	str	model_data#ensemble_coordinate_files
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['pdb', 'cif', 'ent']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	chemical/x-pdb
mimeTypeDescription	str	Model coordinates
fileLabel	str	ensemble coordinates	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	CPdbData	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags

CHhpredData

CCP4Data.CData -> CCP4File.CDataFileContent -> CCP4ModelData.CHhpredData

Contents of class:

alignmentList

CList

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CHhpredDataFile

CCP4Data.CData -> CCP4File.CDataFile -> CCP4ModelData.CHhpredDataFile

Contents of class:

dbFileId	CUUID
contentFlag	CInt
baseName	CFilePath
project	CProjectId
subType	CInt
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	HHPred results
guiDefinition	dict	{}
helpFile	str	model_data#ali
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['hhr']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	application/HHPred-alignments
mimeTypeDescription	str	HHPred sequence search results
fileLabel	str	HHPred sequence search	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	CHhpredData	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags

CHhpredItem

CCP4Data.CData -> CCP4ModelData.CHhpredItem

Contents of class:

identifier	CString
annotation	CString
chain	CString

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CHomolog

CCP4Data.CData -> CCP4File.CDataFile -> CCP4ModelData.CPdbDataFile -> CCP4ModelData.CHomolog

Contents of class:

project	CProjectId
subType	CInt
dbFileId	CUUID
contentFlag	CInt
selection	CAtomSelection
baseName	CFilePath
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	False	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	A model coordinate file in PDB or mmCIF format
guiLabel	str	Atomic model
guiDefinition	dict	{}
helpFile	str	model_data#coordinate_files
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['pdb', 'cif', 'ent']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	chemical/x-pdb
mimeTypeDescription	str	Model coordinates
fileLabel	str	coordinates	Label for file
mustExist	bool	True	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	False	Flag if data widget should be a combo box
fileContentClassName	str	CPdbData	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags

CHomologList

CCP4Data.CData -> CCP4Data.CCollection -> CCP4Data.CList -> CCP4ModelData.CHomologList

Contents of class:

List of CHomolog

Qualifiers for class:

allowUndefined	bool	True
default	list	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
listMinLength	int	0	Inclusive minimum length of list
listMaxLength	int	NotImplemented	Inclusive maximum length of list
listCompare	int	NotImplemented	If has value 1/-1 consecutive items in list must be greater/less than preceeding item. The list item class must have a __cmp__() method.

CMDLMolDataFile: A molecule definition file (MDL)

CCP4Data.CData -> CCP4File.CDataFile -> CCP4ModelData.CMDLMolDataFile

Contents of class:

dbFileId	CUUID
contentFlag	CInt
baseName	CFilePath
project	CProjectId
subType	CInt
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	Structure geometry of ligands for refinement in MDL mol format
guiLabel	str	Mol file
guiDefinition	dict	{}
helpFile	str	model_data#mol_file
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['mol']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	chemical/x-mdl-molfile
mimeTypeDescription	str	MDL Molfile
fileLabel	str	mol	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	None	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags

CMonomer: A monomer compound. ?smiles

CCP4Data.CData -> CCP4ModelData.CMonomer

Contents of class:

formula	CString
identifier	CString
dictionaryName	CString
smiles	CString

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CPdbData: Contents of a PDB file - a subset with functionality for GUI

CCP4Data.CData -> CCP4File.CDataFileContent -> CCP4ModelData.CPdbData

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CPdbDataFile: A PDB coordinate file

CCP4Data.CData -> CCP4File.CDataFile -> CCP4ModelData.CPdbDataFile

Contents of class:

project	CProjectId
subType	CInt
dbFileId	CUUID
contentFlag	CInt
selection	CAtomSelection
baseName	CFilePath
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	A model coordinate file in PDB or mmCIF format
guiLabel	str	Atomic model
guiDefinition	dict	{}
helpFile	str	model_data#coordinate_files
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['pdb', 'cif', 'ent']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	chemical/x-pdb
mimeTypeDescription	str	Model coordinates
fileLabel	str	coordinates	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	CPdbData	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags

CPdbDataFileList

CCP4Data.CData -> CCP4Data.CCollection -> CCP4Data.CList -> CCP4ModelData.CPdbDataFileList

Contents of class:

List of CPdbDataFile

Qualifiers for class:

allowUndefined	bool	True
default	list	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
listMinLength	int	0	Inclusive minimum length of list
listMaxLength	int	NotImplemented	Inclusive maximum length of list
listCompare	int	NotImplemented	If has value 1/-1 consecutive items in list must be greater/less than preceeding item. The list item class must have a __cmp__() method.

CPdbEnsembleItem

CCP4Data.CData -> CCP4ModelData.CPdbEnsembleItem

Contents of class:

identity_to_target	CFloat
structure	CPdbDataFile
rms_to_target	CFloat

Qualifiers for class:

allowUndefined	bool	False
default	dict	NotImplemented
toolTip	str	Homologous model and its similarity to the target structure
guiLabel	str	Structure in ensemble
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CRefmacNcs: Definition of a NCS for Refmac - not implemented yet

CCP4Data.CData -> CCP4ModelData.CRefmacNcs

Contents of class:

This is a simple class without contents

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CRefmacRigidDomain: Definition of a rigid domain for Refmac

CCP4Data.CData -> CCP4ModelData.CRefmacRigidDomain

Contents of class:

excludeSideChains	CBoolean
selection	CResidueRangeList
applyRotation	CBoolean
transformation	CTransformation
applyTranslation	CBoolean

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CResidueRange: A residue range selection

CCP4Data.CData -> CCP4ModelData.CResidueRange

Contents of class:

firstRes	COneWord
chainId	COneWord
lastRes	COneWord

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
pdbFileKey	str	None	The key for a CPdbDataFile in the same CContainer

CResidueRangeList: A list of residue range selections

CCP4Data.CData -> CCP4Data.CCollection -> CCP4Data.CList -> CCP4ModelData.CResidueRangeList

Contents of class:

List of CResidueRange

Qualifiers for class:

allowUndefined	bool	True
default	list	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
listMinLength	int	0	Inclusive minimum length of list
listMaxLength	int	NotImplemented	Inclusive maximum length of list
listCompare	int	NotImplemented	If has value 1/-1 consecutive items in list must be greater/less than preceeding item. The list item class must have a __cmp__() method.

CSeqAlignDataFile: A (multiple) sequence alignment file

CCP4Data.CData -> CCP4File.CDataFile -> CCP4ModelData.CSeqAlignDataFile

Contents of class:

dbFileId	CUUID
contentFlag	CInt
baseName	CFilePath
project	CProjectId
subType	CInt
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	Multiple sequence alignment in any of the common formats (pir,fasta..)
guiLabel	str	Aligned sequences
guiDefinition	dict	{}
helpFile	str	model_data#alignments
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['aln', 'pir', 'fasta', 'msf', 'phy']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	application/CCP4-seqalign
mimeTypeDescription	str	Sequence alignment file
fileLabel	str	None	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	CSequenceAlignment	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags
requiredSequences	list	NotImplemented	A list of allowed numbers of sequences in file (usually [2])

CSeqDataFile: A sequence file

CCP4Data.CData -> CCP4File.CDataFile -> CCP4ModelData.CSeqDataFile

Contents of class:

dbFileId	CUUID
contentFlag	CInt
baseName	CFilePath
project	CProjectId
subType	CInt
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	Sequence
guiDefinition	dict	{}
helpFile	str	model_data#sequences
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['seq', 'pir', 'fasta']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	application/CCP4-seq
mimeTypeDescription	str	Sequence file
fileLabel	str	sequence	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	CSequence	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags

CSeqDataFileList

CCP4Data.CData -> CCP4Data.CCollection -> CCP4Data.CList -> CCP4ModelData.CSeqDataFileList

Contents of class:

List of CSeqDataFile

Qualifiers for class:

allowUndefined	bool	True
default	list	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database
listMinLength	int	0	Inclusive minimum length of list
listMaxLength	int	NotImplemented	Inclusive maximum length of list
listCompare	int	NotImplemented	If has value 1/-1 consecutive items in list must be greater/less than preceeding item. The list item class must have a __cmp__() method.

CSequence: A string of sequence one-letter codes Need to be able to parse common seq file formats Do we need to support alternative residues What about nucleic/polysach?

CCP4Data.CData -> CCP4ModelData.CSequence

Contents of class:

moleculeType	CString
referenceDb	CString
identifier	CString
reference	CString
sequence	CString

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CSequenceAlignment: An alignment of two or more sequences. Each sequence is obviously related to class CSequence, but will also contain gaps relevant to the alignment. We could implement the contents as a list of CSequence objects? The alignment is typically formatted in a file as consecutive or interleaved sequences.

CCP4Data.CData -> CCP4ModelData.CSequenceAlignment

Contents of class:

moleculeType	CString
identifier	CString

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CSequenceMeta

CCP4Data.CData -> CCP4ModelData.CSequenceMeta

Contents of class:

expressionSystem	CString
uniprotId	CString
organism	CString

Qualifiers for class:

allowUndefined	bool	True
default	dict	NotImplemented
toolTip	str	NotImplemented
guiLabel	str	NotImplemented
guiDefinition	dict	{}
helpFile	str	NotImplemented
saveToDb	bool	False	Save this data in the database

CTLSDataFile: A refmac TLS file

CCP4Data.CData -> CCP4File.CDataFile -> CCP4ModelData.CTLSDataFile

Contents of class:

dbFileId	CUUID
contentFlag	CInt
baseName	CFilePath
project	CProjectId
subType	CInt
annotation	CString
relPath	CFilePath

Qualifiers for class:

allowUndefined	bool	True	Flag if data file can be undefined at run time
default	dict	NotImplemented
toolTip	str	Definition of model domains for TLS refinement
guiLabel	str	TLS coefficients
guiDefinition	dict	{}
helpFile	str	model_data#tls_file
saveToDb	bool	True	Save the name of this file in the database
fileExtensions	list	['tls']	A list of strings containing allowed file extensions (no dot)
mimeTypeName	str	application/refmac-TLS
mimeTypeDescription	str	Refmac TLS file
fileLabel	str	tls	Label for file
mustExist	bool	False	Flag if data file must exist at run time
fromPreviousJob	bool	False	Flag if input data file can be inferred from preceeding jobs
jobCombo	bool	True	Flag if data widget should be a combo box
fileContentClassName	str	None	A string containing the name of a class which will hold the file contents
isDirectory	bool	False	Flag if the data is a directory
requiredSubType	list	None	A list of allowed sub types
requiredContentFlag	list	None	A list of allowed content flags