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All Samples(4)  |  Call(4)  |  Derive(0)  |  Import(0)

src/b/i/biskit-2.4/Biskit/delphi.py   biskit(Download)
        """
        if self.local:
            T.errWrite( 'loading PDB...' )
 
        self.m1 = self.MODEL or PDBModel( T.testRoot( 'lig/1A19_dry.model' ) )
 
        if self.local:
            T.errWrite( 'Adding hydrogens to model (reduce)...' )
 
        self.rmodel = Reduce( self.m1, verbose=self.local ).run()

src/b/i/biskit-2.4/Biskit/PVM/TrackingJobMaster.py   biskit(Download)
        """
        if add_hosts:
            if verbose: T.errWrite('adding %i hosts to pvm...' % len(hosts) )
            pvm.addHosts( hosts=hosts )
            if verbose: T.errWriteln('done')

src/b/i/biskit-2.4/Biskit/SurfaceRacer.py   biskit(Download)
        """
        if not os.path.exists(self.f_out_name):
            T.errWrite( '\nSurfaceRacer result file %s does not exist. You have probably encountered a very rare SurfaceRacer round off error that have caused the program to terminate. Will now try to recalculate the surface with a slightly increased surface probe radii: increasing radii from %.3f to %.3f.\n'%(self.f_out_name, self.probe,self.probe+0.001))
            return 1