OEDepict TK 2.2.1

New features

Major bug fixes

  • When aligning a molecule to a template, atom clashes between the template atoms are ignored.

  • OEPrepareDepiction will now suppress hydrogens even when 2D coordinates are not generated, i.e., clearcoords = false.

Minor bug fixes

  • Highlighting a single atom with the OEHighlightStyle_Stick will now work if that atom is bonded to a highlighted atom.

  • Fixed problem when the scaling of small molecules resulted in depicting atom labels outside the canvas.

  • Fixed problem that incorrectly positioned the “+” sign between reaction components introduced by the last OEDepict TK release, 2.2.0.

Documentation changes

  • All images in this documentation were automatically regenerated to reflect the changes made since the previous release.