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@milot-mirdita milot-mirdita released this 10 Feb 06:40
· 913 commits to master since this release
5-53465f0
53465f0

At a glace: Default enabled compressed C-alpha much decrease resource consumption of large databases. Otherwise, mostly house keeping in this release.

Features

  • Compressed C-alpha coordinates are now enabled by default
  • Foldseek now deals correctly with modified amino acids and HETATMS
  • Exhaustive search mode that skips prefiltering with --exhaustive-search 1
  • TM-align speed up by replacing score_fun8_standard

Bug fixes

  • Disable gap-specific profiles for structure alignments
  • C-alpha coordinates were not correctly preloaded in the alignment stage
  • Reciprocal best hit search now disables new scoring and compositional bias correction for consistent scores in both directions
  • Fixed various bugs around compressed C-alpha coordinates
  • Computed RMSD was wrong
  • Load the DB in memory before aligning (structurealign performance issue)
  • Alignment now uses the correct --comp-bias-corr-scale
  • Fix crash with highly compositionally biased sequences
Assets 9
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