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

All Samples(2)  |  Call(2)  |  Derive(0)  |  Import(0)

src/b/i/biskit-2.4/scripts/Mod/modelling_example.py   biskit(Download)
 
## calculate and print rmsd matrix
rmsHeavy = traj.pairwiseRmsd()
print '\nHEAVY ATOM RMSD BETWEEN MODELS::'
__printMatrix( rmsHeavy )
 
## same thing for backbone atoms
BBMask = traj[0].maskBB()
traj.blockFit2ref( mask = BBMask )
rmsBB = traj.pairwiseRmsd( aMask = BBMask  )