__init__ (
self,
topologyPath,
coordinatesPath,
promdPath,
scaleFactor,
startFrame,
endFrame,
)
|
Exceptions
|
|
|
ValueError, "Number of residues in atom list" " (%d) not equal to number of named residues" " (%d)" %(len( resAtomStart ), len( self.topology.soluteResNames ) )
ValueError, "Cannot determine connectivity of solvent"
ValueError, "Atoms not in residue order"
|
|