April 3rd, 2012
Schrödinger Announces the Release of Suite 2012

April 3, 2012 - We are pleased to announce the release of Schrödinger Suite 2012. All products have been updated for this release, including scientific advances, significant usability improvements, and performance enhancements. 

To download Suite 2012, please visit the Download Center.

A PDF version of the complete list of major new features may be downloaded by clicking here.

Some highlights are:

Maestro 9.3
- Native Mac OS X version
- User definable “Profiles” to allow creation and management of sets of preferences
- Fully customizable toolbars including the ability to create any number of new toolbars

Cloud Support
- Allows most Schrödinger products to be run on the Cloud (Amazon EC2)
- Most jobs can be sent to the Cloud from the user’s desktop

Glide 5.8
- Ability to control torsional sampling of ligands by SMARTS
   - By default, penalizes conformations sampled for amides, esters,
     ureas, carbamates, hydroxamates, aromatic ethers, aromatic amines,
     sulfonamides, and oximes
   - Control is user-adjustable, and for each torsion in a functional group can enforce,
      penalize, or reject conformations
- Excluded volume constraints – exclude ligand atoms from a region of space

Prime 3.1
- Ability to select homology-model-specific regions for further protein refinement
   - Loop refinement: Repredict backbone regions not derived from the template
   - Side chain refinement: Repredict all non-conserved side chains
   - Minimization: Minimize all atoms not derived from the template
- New knowledge-based method for building homology models, using a library
   of loop and side-chain conformations curated from the PDB
   to construct the final model
- Support for generating multiple homology models from one calculation

Canvas 1.5
- Hundreds of new topological descriptors and LigFilter properties
- Identification and removal of redundant properties