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CHANGELOG.md

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Change Log

All notable changes to this project will be documented in this file. This project adheres to Semantic Versioning. The file is formatted as described on http://keepachangelog.com/.

[Unreleased]

[1.0.5] - 2023-11-21

Changes

  • Requires KNIME 5.1

[1.0.4] 2019-09-24

Fixed

  • Pharmacophore from molecule node parsed SDF incorrectly (#12)

[1.0.3] 2019-06-27

Changed

  • Compatible with KNIME 4 #10

[1.0.2] 2018-07-05

Fixed

  • PharmacophorePoint#toArray method uses current locale [#9]

[1.0.1] 2017-11-21

Fixed

  • Transformation matrix performs mirroring [#8]

[1.0.0] 2017-09-26

Added

  • Node extract points from pharmacophore and node that does the reverse [#2]
  • Nodes to read/write phar formatted files
  • Nodes to convert between pharmacophore and molecule (sdf/mol) [#3]
  • Node to align one pharmacophore to another [#4]

Fixed

  • RMSD very high for a good fit [#6]