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Studer Gabriel authored
Use full backbone atoms (N, CA, C for peptide residues, O5', C5', C4', C3', O3 for nucleotide residues) if number of mapped residues is below 3. This has a direct impact on RMSD. The behaviour before was a random value as the fallback transformation in these cases was an identity matrix. While RMSD is still computed on CA/C3' only, we now apply the transformation derived from all backbone atoms.
Studer Gabriel authoredUse full backbone atoms (N, CA, C for peptide residues, O5', C5', C4', C3', O3 for nucleotide residues) if number of mapped residues is below 3. This has a direct impact on RMSD. The behaviour before was a random value as the fallback transformation in these cases was an identity matrix. While RMSD is still computed on CA/C3' only, we now apply the transformation derived from all backbone atoms.
