TorchLite

torchV10lite is a free 3D molecular viewer, sketcher and designer. Not only does it handle 2D and 3D structures, it also shows you the molecular field patterns of your molecules, giving a powerful visual representation of the way they interact in biological systems. torchV10lite enables you to compare the Structure Activity Relationship (SAR) of up to 10,000 molecules, giving your project the vital insight it needs to succeed. Chemists will be able to: load up to 10,000 molecules and convert them into 3D; view 2D and 3D structures side by side; load protein-ligand crystal structures to visualize favorable interactions; load results of a ligand or protein based virtual screening experiment; study SAR of congeneric or diverse series by visualizing the changes in electrostatic and shape characteristics of the molecules.

torchV10lite is the update to Cressets popular FieldView application. It supports the next-generation XED3 force field for more accurate electrostatics, as well as a host of new features. Support for downloading and viewing PDB files, viewing protein-ligand interactions and simple cheminformatics tools, including 2D Tanimoto similarity, have all been added while maintaining the simplicity and ease of use that Cressets users expect. Customers can upgrade from torchV10lite to torchV10, Cressets powerful molecular design and 3D SAR tool for medicinal chemists. Benefits of upgrading include additional features such as: align and compare molecules using a common substructure or using electrostatic and shape characteristics; immediate feedback on new designs using the score while you draw feature; automatic creation of energetically reasonable conformations for new designs and ensure these can bind to your target; score new molecules against detailed 3D QSAR models from Cressets forgeV10 SAR and design software; optimize more than potency with the optional StarDrop module to predict off-target effects.

Whats new in this version:

XED force field technology.