Add new function to identify nucleic acids and extract their sequence. And add the correspondance between nucleic acids resname and the 1-letter code

pierrepo / grodecoder

GroDecoder extracts and identifies the molecular components of a structure file (PDB or GRO) issued from a molecular dynamics simulation.

https://grodecoder.streamlit.app/

BSD 3-Clause "New" or "Revised" License

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Add new function to identify nucleic acids and extract their sequence. And add the correspondance between nucleic acids resname and the 1-letter code #63

Closed KarinDuong closed 3 months ago

KarinDuong commented 3 months ago

Now the nucleic acids sequence is in the protein_sequence field of the molecular inventory. While waiting if we create a new field nucleic_acids_sequence or just rename it sequence

pierrepo commented 3 months ago

It is a good idea to rename protein_sequence just sequence. Do not forget to update tests.

KarinDuong commented 3 months ago

ready for merge