srnas / barnaba

Analyse Nucleic Acids Structure and Simulations with baRNAba
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Torsion values in case of missing residue #46

Open mandar5335 opened 2 years ago

mandar5335 commented 2 years ago

Hi, I am using Barnaba to extract backbone torsion angles PDB 5YTT (chain B) (Image and PDB file attached here).

It has a missing residue, however, barnaba give values for alpha, epsilon torsion of resid U7 and G5, respectively. These values should be absent.

I think barnaba considering residues G5 and U7 as i and i+1 residue.

Could you please suggest, how can I remove this behavior?

Best, Mandar Kulkarni 5YTT_B.pdb.txt torsion_val_missing_residue_RNA