PDB modification programs

Eric Rescorla rescorla at rtnmr.chem.yale.edu
Thu Jun 6 08:21:22 EST 1991


Essentially, what I need here is software to mutate a protein according
to some sort of data file, replacing amino acids one for one, preferably
with specified torsion angles. I want to retain the PDB structure for
the backbone, but use torsion angles from the literature to predict
the side chain--all this is so that we can use the end result for
an MD calculation, the whole thing is comparison modelling...
Preferably, this should run in batch mode, so I don't have to sit there
and watch it.
-Ekr
-- 
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Eric Rescorla                                      rescorla at rtnmr.chem.yale.edu
Yale University Department of Chemistry             rescorla at psun.chem.yale.edu
"No his mind is not for rent--to any God or government." Peart/Dubois  




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