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Releases: lightdock/lightdock-rust

Release 0.3.2

19 Apr 16:44
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This release includes several improvements (thanks @wjs20 and @szabgab):

  • Improved error messages
  • Using information from setup.json without the need of copying data inside the swarm folder
  • Examples for docs on https://lightdock.org/tutorials/0.9.3/rust
  • Replacement of discontinued npy library by npyz.

Release 0.2.0

20 Jan 12:45
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This release adds the support for a new protein-nucleic scoring function (dna).

dna scoring function makes use of the AMBER94 force-field as in the Python version.

Code has been heavily refactored to support for more scoring functions in the future.

Rust language edition has been updated to 2021.

Release 0.1.1

16 Dec 09:42
d845a83
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Updated to use lib3dmol version 0.4.0 to support residue insertion codes in residue restraints (antibody-antigen systems).

Thanks to Philippe Noel for supporting insertion codes in lib3dmol.

Release 0.1.0

15 Oct 11:03
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First release of the LightDock protocol written in the Rust programming language.