Dear RDKit Nodes Users,
we have just released an update to the existing RDKit Nodes version 3.0.0, which is available in KNIME 3.1 and 3.2 (soon to come). It contains the following changes and improvements:
<ul> <li><strong>Updated RDKit Binaries to version 2016_03_2: </strong> <strong></strong>Release notes for RDKit can be found here: <a class="ext" href="https://github.com/rdkit/rdkit/blob/Release_2016_03_2/ReleaseNotes.md" style="line-height: 19.2px;" target="_blank">https://github.com/rdkit/rdkit/blob/Release_2016_03_2/ReleaseNotes.md</a> <br /> (The previous nodes were using the 2015_09_2 release, so all sections down to the old release notes are relevant here.)</li> </ul> </li> <li><strong>Improvements: </strong> <ul> <li><strong>RDKit Salt Stripper Node: </strong>Added new option to keep only the largest fragment after stripping off salts.</li> </ul> </li> <li><strong>Bugfixes:</strong> <ul> <li><strong>Auto-conversion </strong>feature for SMILES and MOL/SDF type columns changed slightly: RDKit cells now generate canonical SMILES from when either RDKit molecules or SDF/MOL cells are converted to SMILES. These SMILES were previously non-canonical.</li> <li><strong>RDKit Fingerprint Writer: </strong>Bugfix for handling date time formatting.</li> </ul> </li>
Thanks to all users who were using and testing our nightly build version. --- Thanks for using RDKit in KNIME! Please continue to report any bugs and strange behavior you may encounter to this RDKit Forum.