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Releases: BioJulia/ProteinSecondaryStructures.jl

v2.0.3

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@github-actions github-actions released this 11 Jul 13:35

ProteinSecondaryStructures v2.0.3

Diff since v2.0.2

  • Bump TestItems compat entry.

v2.0.2

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@lmiq lmiq released this 28 Jun 00:54
  • small doc updates.

v2.0.2

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@github-actions github-actions released this 18 Jun 11:23

ProteinSecondaryStructures v2.0.2

Diff since v2.0.1

  • Fix case of BioJulia links.

v2.0.1

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@github-actions github-actions released this 15 Jun 22:11
ebd7d34

ProteinSecondaryStructures v2.0.1

Diff since v2.0.0

  • Some documentation improvements.
  • Update m3g links to BioJulia links

Merged pull requests:

v2.0.0

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@github-actions github-actions released this 14 Jun 18:51

ProteinSecondaryStructures v2.0.0

Diff since v1.5.0

New features

  • Support for mmCIF files when running DSSP.

Breaking changes:

This is major breaking change relative to the 1.X series, because the package now focuses on being a lightweight and simple tool to compute secondary structures from PDB and mmCIF files only.

  • The integration with PDBTools.jl was removed, and will be part of the PDBTools.jl package.
  • The functions to analyze the secondary structure along molecular simulations will be moved to the MolSimToolkit.jl package.
  • adjust_pdb (previously fix_header) defaults to false in all cases.
  • kappa, alpha, and area fields were removed from the SSData structure.

v1.5.0

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@github-actions github-actions released this 13 Jun 17:37

ProteinSecondaryStructures v1.5.0

Diff since v1.4.0

New features:

  • New ss_name, ss_number, and ss_code functions.

v1.4.0

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@github-actions github-actions released this 13 Jun 13:37

ProteinSecondaryStructures v1.4.0

Diff since v1.3.0

  • replace class by ss_name (non-breaking because currently class is maintained for legacy).

v1.3.0

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@github-actions github-actions released this 12 Jun 15:03

ProteinSecondaryStructures v1.3.0

Diff since v1.2.0

New feature:

  • Support AbstractChar and AbstracString in ss_code_to_number and ss_number_to_code.

v1.2.0

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@github-actions github-actions released this 12 Jun 00:32

ProteinSecondaryStructures v1.2.0

Diff since v1.1.0

New feature:

  • Exports the ss_classes dictionary with the list of secondary structure classes.

v1.1.0

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@github-actions github-actions released this 12 Jun 00:09

ProteinSecondaryStructures v1.1.0

Diff since v1.0.2

New features:

  • Added ss_code_to_number and ss_number_to_code functions to convert from code to number and vice versa, which can be used by external tools for format conversions and plotting.