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@jamesmkrieger jamesmkrieger released this 13 Aug 08:59
v2.4.1
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Learn about vigilant mode.

2.4.1 (Aug 11, 2023)

New Features:

  • New function writeBILD to write modes in BILD format for viewing in Chimera/ChimeraX
  • New function addMissingAtoms based on PDBFixer or OpenBabel
  • Added Seaborn kernel density estimator (KDE) options to showProjection like Kaynak et al., 2022
  • Added options to control adjust_text for showProjection
  • Added unite_chains option to parseMMCIF to handle splitting over segments
  • New function interpolateModel based on SITUS ModeHunter
  • New ClustENM app
  • New module for analysing water bridges (only for Python 3)
  • New option nproc as a number of processors limit for solveEig, ANM, GNM and PCA calcModes

Bug Fixes and Improvements:

  • Fixed Trajectory next frame overwriting with atoms linked
  • Important fixes to alignBioPairwise
  • Update to blastpdb to account for changes to on the NCBI side
  • Improvements to apps including writing matrices
  • Improved handling of mmCIF files including those from PDB-REDO

Full Changelog: v2.4.0...v2.4.1

Assets 5