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|
processInfoFile
|
processInfoFile (
f,
label,
fields,
)
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Exceptions
|
|
|
ValueError("%s info header missing or" " IDs not consecutive" % label.capitalize() )
|
|
|
|
processPocketInfoFile
|
processPocketInfoFile ( pi )
|
|
|
processMouthInfoFile
|
processMouthInfoFile ( mi )
|
|
|
processCastpFiles
|
processCastpFiles (
pdb,
mouthAtoms,
mouthInfo,
pocketAtoms,
pocketInfo,
identifyAs=None,
)
|
Exceptions
|
|
|
ValueError( "Multiple structures in CASTp PDB file?!?" )
ValueError("Number of mouths (%d) does not match number" " of pockets (%d)." %(len( mouthInfoDicts ), len( pocketInfoDicts ) ) )
ValueError( "No structures in CASTp PDB file?!?" )
IOError(pdbio.error() )
|
|
|
|
gatherAtoms
|
gatherAtoms (
bySerial,
label,
f,
dicts,
)
|
Exceptions
|
|
|
ValueError("Non-existent serial number (%d) found" " in %s file" %( serial, label ) )
ValueError("Atom with serial number %d (%s) does" " not match name in %s file (%s)" %(serial, chimeraLabel( atom, showModel = False, modelName = False ), label, fields [ 2 ] ) )
ValueError("%s ID (%d) in %s file greater than" " number of %ss (%d) in %s info file" %( label.capitalize(), id, label, label, len( dicts ), label ) )
ValueError("Atom with serial number %d (%s) does" " not match residue type in %s file (%s)" %(serial, chimeraLabel( atom, showModel = False, modelName = False ), label, fields [ 3 ] ) )
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