Modified residues

Hello,

Does BARNABA have the ability to read modified residues. And can it calculate features of these residues like eRMSD, RMSD and gvectors? If yes, how?

Thank you,

Tia

[valeriopiomponi]

I had the same issue few weeks ago. I simply added my modified nucleotide (m6A) to the residue dictionary here https://github.com/srnas/barnaba/blob/master/barnaba/definitions.py
I simply added 'm6A' : 'A' in the list on line 24. In this way, any time barnba see a residue named m6a, I will treat it as a simple adenine (that i think is good in terms of gvectors/ermds calculations)

[sbottaro]

Thanks @valeriopiomponi. You can add any modifications you need, as long as you make sure the name of atoms C2/C4/C6 are present in the modified base.