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
andOEGreenPen
pens added.OEDepictCoordinates
is now deprecated. 2D coordinate generation is now included inOEChem
as theOEGenerate2DCoordinates
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.
¶ 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 theOEAtomStereoStyle.Display.MDLStereoCenter
andOE2DMolDisplaySetup.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
andOERenderMolecule
that take an oeostream no longer call the stream’sclose
method. It is the responsibility of the caller to callclose
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.