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src/b/i/biskit-2.4/Biskit/Dock/Complex.py   biskit(Download)
        def getSurface( model, key ):
            if verbose:
                log.write("Calculating SurfaceRacer data for %s..."%key)
                d = PDBDope( model )
                d.addSurfaceRacer( probe=1.4 )
        try:
            dope = PDBDope( c.rec_model )
            dope.addSurfaceRacer( probe=1.4 )
            rec_surf = c.rec_model.profile2mask( 'MS', 0.0000001, 1000 )
 
            dope = PDBDope( c.lig_model )
            dope.addSurfaceRacer( probe=1.4 )

src/b/i/biskit-2.4/Biskit/Dock/PatchGeneratorFromOrbit.py   biskit(Download)
    ## add molecular surface to components
    doper = PDBDope( rec )
    doper.addSurfaceRacer( probe=1.4 )
    surf_rec = rec.profile2mask( 'MS', 0.0001, 101 )
 
    doper = PDBDope( lig )
    doper.addSurfaceRacer( probe=1.4 )

src/b/i/biskit-2.4/Biskit/Dock/hexTools.py   biskit(Download)
        #t.flushPrint('\nCalculating receptor surface profile')
        rec_asa = PDBDope( recModel )
        rec_asa.addSurfaceRacer()
    if not ligModel.atoms.has_key('relAS'):
        #t.flushPrint('\nCalculating ligand surface profile')
        lig_asa = PDBDope( ligModel )
        lig_asa.addSurfaceRacer()

src/b/i/biskit-2.4/scripts/Biskit/trajFluct.py   biskit(Download)
 
    flushPrint('adding accessible surface profiles...')
    doper.addSurfaceRacer()
 
except Exception, why:

src/b/i/biskit-2.4/Biskit/Dock/PatchGenerator.py   biskit(Download)
 
    doper = PDBDope( m_com )
    doper.addSurfaceRacer()
 
    mask = m_com.profile2mask( 'relAS', 5, 101 )