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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.
Studer Gabriel authoredAll 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.