Modified residues

[ghost]

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.