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Specify atom in second selection of restraints subcommand #30

Merged
merged 3 commits into from
Nov 11, 2024
Merged

Specify atom in second selection of restraints subcommand #30

merged 3 commits into from
Nov 11, 2024

Commits on Nov 11, 2024

  1. order body_ids 

    this is important to ensure reproducibility
    @rvhonorato
    rvhonorato committed Nov 11, 2024
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  2. specify atom for second selection in restraint_bodies

    @rvhonorato
    rvhonorato committed Nov 11, 2024
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  3. add test data

    @rvhonorato
    rvhonorato committed Nov 11, 2024
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