Skip to content
Snippets Groups Projects
  • Studer Gabriel's avatar
    93520c38
    chain mapping: Extend processing of input structures · 93520c38
    Studer Gabriel authored
    All structures, be it target or model structures undergo additional
    processing so they only contain residues with complete backbone.
    For peptides thats: N, CA, C, CB (no CB for GLY), for nucleotides
    thats O5', C5', C4', C3' and O3'. Reason for that is to give some
    guarantees to downstream algorithms.
    
    One downstream algorithm that could be adapted because of that is
    the transformation in the ReprResult class. If number of residues
    is smaller than 3, all those backbone atoms are used to derive
    a transformation in order to not crash. Behaviour for ReprResult
    objects with >= 3 residues does not change. Only CA/C3' atoms
    are used.
    93520c38
    History
    chain mapping: Extend processing of input structures
    Studer Gabriel authored
    All structures, be it target or model structures undergo additional
    processing so they only contain residues with complete backbone.
    For peptides thats: N, CA, C, CB (no CB for GLY), for nucleotides
    thats O5', C5', C4', C3' and O3'. Reason for that is to give some
    guarantees to downstream algorithms.
    
    One downstream algorithm that could be adapted because of that is
    the transformation in the ReprResult class. If number of residues
    is smaller than 3, all those backbone atoms are used to derive
    a transformation in order to not crash. Behaviour for ReprResult
    objects with >= 3 residues does not change. Only CA/C3' atoms
    are used.