BBReader: a computer program for the combined use of the BioMagResBank and PDB databases

A computer program ('BBReader') was developed which performs an inverse search in the BioMagResBank database. Given (cross) peak positions of a protein, the program searches for atoms with matching chemical shifts and suggests possible assignments for user-specified homo- and heteronuclear one- to three-dimensional COSY- and NOESY-type experiments. It can handle 1H, 13C and 15N spectra. Distance information from PDB files can be utilized for filtering possible NOESY cross peak assignments.