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v2.2.0

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@maylinnp maylinnp released this 22 May 21:06
v.2.2.0
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Changes in 2.2.0

Enhancements

  • New method added to enable exporting receptor pdb with flexible residues given ligand (currently for API only)
  • During results writing: check to ensure files provided with file option, and directories provided with file_path option
  • Multiprocess removed from clustering methods, speeding up the process significantly
  • Minor sqlite query updates for enhanced query speed, such as replacing LIKE with = where possible when matching text

Bug fixes

  • Initializing ringtail with full path to a database could result in issues exporting SDFs to specified folder, this has been fixed
  • Clustering without filtering could result in error, this has been fixed

Full Changelog: v2.1.2...v2.2.0

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