OEDepict TK 2.2.2

New features

• OEPrepareAlignedDepiction can now take a OESubSearch or OEMCSSearch object to allow the layout to be driven by multiple atom mappings at the same time. The mapping that generates the best alignment will be returned in an OEAlignmentResult object.

• OEGetDefaultAtomColor added to return the default color associated with an atomic number for the given atom color style.

• OEGreenBoxPen and OEGreenPen pens added.

• OEDepictCoordinates is now deprecated. 2D coordinate generation is now included in OEChem as the OEGenerate2DCoordinates function. Please switch to using that function instead.

Major bug fixes

• Improved the positioning of atom properties by considering the position of implicit hydrogen labels. See the effect of this change in Table: Example of improving the positioning of atom properties.

  Example of improving the positioning of atom properties

  OEDepict TK 2.2.1	OEDepict TK 2.2.2

Minor bug fixes

• OEDepict TK will automatically render enhanced stereo by default now. Previously, the OEConfigure2DMolDisplayOptions function would not automatically enable rendering enhanced stereo information. The behavior can be changed by the OEAtomStereoStyle_Display_MDLStereoCenter and OE2DMolDisplaySetup_AtomStereoStyle constants.

• Increased the gap between the bond end and the atomic label for iodine (atomic label “I”).

• Added “BRIEF” line to interfaces of OEDepict TK examples.

• OEWriteImage and OERenderMolecule that take an oeostream no longer call the stream’s close method. It is the responsibility of the caller to call close on the stream if it is appropriate.

Documentation changes

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