SCHRODINGER SOFTWARE SUITE
Schrödinger software suite is a drug design software using both ligand and structure-based methods. Schrödinger provides accurate, reliable, and high performance computational technology to solve real-world problems in life science research. It provides superior solutions and services for the design, selection, and optimization of novel drug candidates. Schrödinger's predictive models will enable drug discovery scientists to assess properties of chemical compounds early in the discovery process and to select drug candidates that have optimal profiles.
The predictive power of Schrödinger's software allows scientists to accelerate their research and development activities, reduce research costs, and make novel discoveries that might not be possible with other computational or experimental approaches.
Maestro is a powerful, all-purpose molecular modeling environment. Maestro is the unified interface for all Schrödinger software products.
Supplier : Schrodinger L.L.C., USA
Following software products of Schrödinger are installed at SERC :
Jaguar 5.5 is designed to increase the speed of ab initio calculations in order to accelerate basic and applied research projects and to enable calculations at a higher level of theory. Jaguar's speed and power make it possible to study larger systems than ever before, or to study many more systems than previously possible, within a reasonable time frame.
MarcModel, with a large selection of force fields and advanced methods for conformational analysis, molecular dynamics, and free energy calculations, is the most trusted name in molecular mechanics. MarcModel is especially well suited for general-purpose molecular mechanics for small and medium-sized organic molecules in both gas and solution phases. Further, MarcModel has powerful utilities for exploring proteins and protein-ligand complexes.
This software is available on all Linux and SGI-Irix machines housed in the computational bays at SERC.
Procedure to use Schrodinger Software Suite
Environmental setup required
SH and KSH - Shells:
CSH and TCSH - Shells:
How to launch Maestro?
Execute the following command:
Report Problems to:
If you encounter any problem in using this software please report to us at the following email address firstname.lastname@example.org or contact System Administrators in 109 (SERC) for SGI-Irix machines and 109(SERC) for Linux machines.