Did I find the right examples for you? yes no      Crawl my project      Python Jobs

All Samples(1)  |  Call(1)  |  Derive(0)  |  Import(0)
Instances calculate the change in pKa of ionisable residues due to mutating other residues.

Terminology - 
        scan - The calculation of the change in pKa of all ionisable residues due to a single mutation.
        i.e. Means 'scan all ionisable residues after making a given change'

Each objects main attribute is a set of parameters which define how the scan is to be performed

Note a scan requires the output of a previous pKA run to be present in the workingDirectory.

src/p/e/PEATDB-2.3/PEATSA/Core/ProteinDesignTool.py   PEATDB(Download)
 
		if self.scanner is None:
			self.scanner = Programs.Scanner(pdbName=self.pdbFile,
					workingDirectory=self.workingDirectory,
					configuration=self.configuration,