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Releases: DasLab/create_templates

v1.1.0

02 Nov 18:33

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Now include O3' in all atom output.
Update default output allatom filename to be .allatom.csv.

v1.0.0

02 Nov 17:46

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Reasonably stable release that matches Kaggle MMseqs2 workflow

Includes initial code to generate allatom information for templates. Used to generate allatom templates for Kaggle train2 (link).

v0.3

29 Jul 18:14

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Some updates to get ready for Kaggle deployment:

  • Hotfix to release date lookup -- should do this after checking if cif exists (due to some missing DNA-containing test sequences, which should be skipped).
  • Put main loop & output code into functions that can be easily called by external scripts

v0.2

28 Jul 23:27

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Getting ready for all-atom templates

  • Look at insertion codes to make sure the correct residues are being pulled out of templates.
  • Save 26 atom names to allatom files.
  • Save pdb_id, pdb_seq_num, pdb_ins_code, and pdb_resname to all-atom files to allow later tracing back to templates.

v0.1

28 Jul 21:03

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Release initial version that should closely match MMseqs2 3D RNA template identification Kaggle notebook