Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Export of modified RNA to IDT notation (modified IDT monomers) #1900

Closed
olganaz opened this issue Apr 3, 2024 · 1 comment · Fixed by #1945
Closed

Export of modified RNA to IDT notation (modified IDT monomers) #1900

olganaz opened this issue Apr 3, 2024 · 1 comment · Fixed by #1945

Comments

@olganaz
Copy link
Collaborator

olganaz commented Apr 3, 2024

Background
Users may need to generate IDT notation for modified RNA to be able to order this kind of molecules through IDT web site.

Requirements

  1. Known modified monomers (monomers from Ketcher library). System should have IDT alias and structure for this kind of monomers. These monomers could be CHEMs or Nucleotides (split to submonomers OR unsplit single unit)
    For this kind of monomers IDT name should be exported in a form /<pos><Identifier>/[*]
    where
    pos - position of the nucleotide in the chain/fragment:
    • 5- at the 5' end (the first monomer in a chain)
    • i- inside the chain
    • 3 - at the 3' end (the last monomer in a chain)

Identifier- alphanumeric string representing unique identifier of the monomer in IDT registry.
* - optional indicator of modified phosphate. If specified, indicates that Phosphorothioate (sP) is included into nucleotide, otherwise standard phosphate (P) is implied.

For monomers having multiple IDT names the appropriate name should be chosen depending on position of monomer inside the chain.

  1. Unknown modified monomers. System has IDT name without structure.
    This kind of monomers are unknown CHEMs with the IDT name, so the IDT name should be exported.
  2. Modified monomers without IDT name.
    If there is no IDT name for monomer, system should display Error message "This molecule has unsupported monomer and couldn't be exported to IDT notation".

Examples
TBD

@olganaz olganaz added this to Product Backlog in Indigo via automation Apr 3, 2024
@olganaz olganaz changed the title Export of RNA presets to IDT notation (modified IDT monomers) Export of modified RNA to IDT notation (modified IDT monomers) Apr 8, 2024
@AliaksandrDziarkach AliaksandrDziarkach self-assigned this Apr 24, 2024
AliaksandrDziarkach added a commit that referenced this issue May 8, 2024
Add export modified IDT monomer support. Add UTs.
AliaksandrDziarkach added a commit that referenced this issue May 16, 2024
…#1945)

Co-authored-by: Aliakasndr Dziarkach <Aliakasndr.Dziarkach@gmail.com>
Indigo automation moved this from Product Backlog to Done May 16, 2024
@Zhirnoff
Copy link
Collaborator

Zhirnoff commented Jun 6, 2024

Tested. We have bugs mentioned above.
Desktop:

  • OS: Windows 11
  • Browser Chrome
  • Version 124.0.6367.79 (Official Build) (64-bit)

Ketcher version
[Version 2.22.0-rc.2]
Indigo version
[Version 1.21.0-rc.1]

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Projects
Indigo
  
Done
Development

Successfully merging a pull request may close this issue.

3 participants