rescorla@rtnmr.chem.yale.edu (Eric Rescorla) (06/06/91)
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 -- ------------------------------------------------------------------------------- Eric Rescorla rescorla@rtnmr.chem.yale.edu Yale University Department of Chemistry rescorla@psun.chem.yale.edu "No his mind is not for rent--to any God or government." Peart/Dubois