This release brings KNIME workflow support to Molegro Molecular Viewer. This makes it possible to integrate MMV with existing workflows, such as accessing databases and preparing ligands using third-party software. After having upgraded MMV, please visit molegro.com/knime to install the KNIME plugins.

Changes:

• Support for KNIME workflows.
• It is now possible to append MVDML workspaces to an existing workspace.
• Molecule import now moves partial charges from hydrogens to the heavy atom they are attached to: since hydrogen bonds in MMV are handled by special terms in the scoring function, which does not take the hydrogen charge into account, moving the charge from hydrogens to heavy atoms ensures no charges are lost. Notice that MMV's internal charge scheme does not assign charges to hydrogens, so this change is only relevant to molecules prepared by third party software.
• Better preparation of nitrogens in aromatic rings: for molecules without explicit hydrogens, MMV would sometimes wrongly protonate the nitrogens in aromatic rings.
• Fixed the difference between the Hide Distant Residues thresholds in the workspace GUI and in the Pose Organiser. (Pose Organiser only took heavy atoms into account).
• Linux build are now compiled on build machines (both 32 and 64 bit) using a newer version of the GCC compiler. The new build requires libstdc++.so.6.0.0 or later. Please contact us, if you run into problems with missing dependencies.

This release brings KNIME workflow support to Molegro Molecular Viewer. This makes it possible to integrate MMV with existing workflows, such as accessing databases and preparing ligands using third-party software. After having upgraded MMV, please visit molegro.com/knime to install the KNIME more...