ample.util.csymmatch module¶

class Csymmatch[source]¶

Bases: object

averageScore()[source]¶

origin(logfile=None, failOnChangeOfHand=True)[source]¶

Return the change of origin. Csymmatch will always return something so we use a changeOfHand as indication of failure

parseLog(logfile=None, cleanup=True)[source]¶

Parse the log

run(refPdb=None, inPdb=None, outPdb=None, connectivityRadius=None, originHand=True, cleanup=False)[source]¶

FOO

wrapModelToNative(mrPdb, nativePdb, origin=[0.0, 0.0, 0.0], csymmatchPdb=None, workdir=None, cleanup=True)[source]¶

Take a pdb and wrap it onto the nativePdb using csymmatch. If origin is not [0.0,0.0,0.0] we also move the structure onto the new origin before wrapping