Automated interpretation of electron density maps of proteins: Derivation of atomic co-ordinates for the main chain

Earlier work on the automated interpretation of protein electron density maps ( Greer, 1974 ) has been expanded to produce atomic co-ordinates for the main chain of the molecule. Procedures have been designed that select the main-chain segments, determined the directionality of the chain, and fit null α -carbon and null β -carbon co-ordinates at the appropriate positions. The orientation of the peptide plane is derived for a number of residues...