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ASMC 1.1.0

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@thomas-bailly thomas-bailly released this 10 Sep 14:34
· 44 commits to main since this release

Major Changes

  • An asmc command can be created using pip install ./ within the ASMC directory. This allow to use asmc anywhere without using python script path
  • The main workflow and the useful scripts have been reorganised, each purpose is now a subcommand:
    • run - the subcommand corresponding to the main workflow
    • identity - the subcommand corresponding to ASMC/asmc/compute_perc_id.py
    • extract - the subcommand corresponding to ASMC/asmc/extract_aa.py
    • compare - the subcommand corresponding to ASMC/asmc/compare_active_site.py
    • unique - the subcommand corresponding to ASMC/asmc/stats.py
    • pymol - this subcommand returns the path of the ASMC/asmc/zoom_active_site.py in order to load it in PyMol

New features

  • The to_xlsx subcommand has been added in order to convert the groups_x_min_y.tsv to xlsx file

Bug fixes

  • The alignment file to be specified in the input file for the -M/--msa option is now detected if it contains '.fasta', '.faa' or '.fa', even if another extension is added after it.
  • Adds missing program exits after error detection while the -M/--msa option is used.