Computational Facility

Computational Facility - Software

These lists are by no means complete.

MSI Cerius2 - a drug-discovery application. Cerius2 provides an easy-to-use simulation and modeling environment (IRIX only)
Charmm - Chemistry at Harvard Macromolecular Mechanics. CHARMM c27b1 Documentation can be found here
Gaussian 92, 94, 98
Grasp - Molecular surface visualization program;
MSI InsightII - A suite of Molecular modeling software
MDTools - a program for analyzing the geometry of proteins and nucleic acids
MDTools - TBG-developed analysis tools
Matlab - mathematics package
Mathematica - mathematics package
MolPro - quantum chemistry program
MolScript - MolScript is a program for displaying molecular 3D structures, such as proteins, in both schematic and detailed representations.
MSI Suite for Solaris/Linux (pending)
NAMD - our parallel molecular dynamics program
O - A protein crystallographic package
MSI Quanta - Advanced tools for macromolecular X-ray crystallographers (IRIX only)
Rasmol - X11 molecular visualization program
SPSS - statistics package
Table of Integrals, Series, and Products.
VMD - our interactive molecular visualization program
X-PLOR - molecular dynamics and refinement program

Apple Developer Program - early access to Apple software
Converse/Charm++ - a parallel runtime systems from the University of Illinois.
Fortran 90
GhostSDK - Haptic Device interface kit
InstallShield Pro - installation tools for Windows
Insure++ - a C++ memory debugging tool, generously donated to the group by Parasoft
MDTools - TBG-developed programming/administrative tools
Microsoft Development Network Academic Alliance
PVM - parallel virtual machine
Rational Purify - a memory leak detector
Perl - a scripting language written for the philosophy "There's More Than One Way To Do It"
Python - a general-purpose object-oriented scripting language