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Software

NAME

Versions

Type

License

OS

CHARMM

C30b1

C31a1

CHARMM (Chemistry at HARvard Molecular Mechanics) is a program for macromolecular simulations, including energy minimization, molecular dynamics and Monte Carlo simulations.

Yes, Full

Linux – Irix – XP

SYBYL

6.91

7.0

SYBYL/Base provides essential construction, editing, and visualization tools for both large and small molecules. Data organization and analysis rely on the Molecular Spreadsheet™

Yes, Full

Irix

QUANTA

2000

Molecular Simulation

Yes, Full

Irix

DOCK

4.0

5.0

Structure based drug design

Freeware

Linux – Irix - XP

NAMD

2.5

NAMD, is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. Based on Charm++ parallel objects, NAMD scales to hundreds of processors on high-end parallel platforms and tens of processors on commodity clusters using switched fast ethernet.

Freeware

Linux

AUTODOCK

3.0

Molecular Modeling

Full

Irix

MODELLER

7v7

Homology Modeling

Freeware

Irix – XP

GAUSSIAN

03W

Quantum Chemistry

Full

Linux - Irix - XP

VMD

1.8.1
1.8.2

Molecular Modeling Software

Freeware

Irix – XP

VEGA

2.0.0

Molecular Modeling Software

Freeware

XP

ARGUSLAB

4.0

Molecular Modeling Software

Freeware

XP

CORINA

3.0

20 t0 30 conner

Demo

XP

Qmol

3.0

Molecular Modeling Software

Freeware

XP

RasTop

2.0.3

Molecular Modeling Software

Freeware

XP

Tcoffee

1.37

Multiple Alignment

Freeware

XP

CluxtalX

1.8.1

Multiple Alignment

Freeware

XP

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