We are delighted to announce the release of Torch, the next generation of FieldAlign, an intuitive 3D molecule designer. Torch brings new capabilities to medicinal chemistry desktops while maintaining our focus on easy to use, easy to learn software that produces meaningful results within minutes.
Existing FieldAlign users can upgrade to Torch for free. If you have not already received your new license file then please let us know. If you’re new to our molecule design software you can get a free one month evaluation here.
In common with Forge and Spark, Torch uses the next generation of our proprietary XED force field to describe molecules and their interaction from the protein’s view point. Using Torch gives medicinal chemists a unique insight into how molecules relate to each other and to the target protein, enabling a deep understanding of structure activity relationships. However, understanding is only half of the equation. Torch brings a powerful molecule editor and sketcher that chemists use to design their next molecule. The editor provides immediate feedback on each design giving a rapid progression of idea to synthesis.
- New molecular mechanics force field (XED3).
- New protein importer to read and process pdb files into protein and reference molecule.
- Download pdb files directly into Torch and view protein-ligand interactions.
- Display and use Forge QSAR models in the scoring of molecules.
- Improved molecule reading to give fewer clicks and more intuitive operation.
- Measure distances, angles and torsions, automatically display intramolecular H-bonds and atomic clashes.