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Sort by Program
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Description
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Contact
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Sort by Operating System
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AMoRe
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Stand alone molecular replacement package
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Pascal Egea
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IRIX, PC Linux
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ARP/wARP 7.0 
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ARP/wARP , is a program package for protein structure refinement. On-line Manual
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PC Linux, OSF/1, IRIX, MacOSX
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AutoDock 3.0.5
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Automated Docking of Flexible Ligands to Receptors
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Chris Waddling
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Alpha Linux, IRIX, IRIX64, OSF1, and MacOSX
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Babel 1.6
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Interconvert a number of file formats currently used in molecular modeling.
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Chris Waddling
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Alpha Linux, IRIX, IRIX64, and MacOSX
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CCP4_6.0.2
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A large collection of programs that covers everything from data reduction to refinement (Tutorial)
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NO CONTACT
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Alpha Linux, IRIX, PC Linux, OSF/1 & MacOS X
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CNS_1.2
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Phasing and refinement program with many useful utilities
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Luke Rice
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Alpha Linux, PC Linux, IRIX, OSF/1 & MacOSX
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Denzo 1.97.9
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Data reduction, integration, merging and scaling of X-ray data
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Chris Waddling
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PC Linux, OSF/1 & IRIX
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| Dock 6.0 |
DOCK addresses the problem of "docking" molecules to each other. |
NO CONTACT
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PC Linux
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DockEM
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Quantitatively dock, or fit, a crystal structure into an EM map of a molecular compelx that contains that structure
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Peter Hwang
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OSF/1
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EPMR v2.5
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EPMR is a program that finds crystallographic molecular replacement solutions using an evolutionary search algorithm. (Manual PDF)
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Frank Hays
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Alpha Linux, PC Linux, OSF/1 & IRIX
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Escet 0.6b
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A script driven program to analyse and compare three-dimensional protein structures
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HKL2000
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Data reduction, integration, merging and scaling of X-ray data |
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PC Linux, OSF/1 & IRIX
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| HOLE2 |
HOLE allows the visualization and analysis of the holes through atomic models of ion channels |
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PC Linux and IRIX
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InsightII v 2000.1
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3D graphical environment for molecular modeling. (Local Access Only)
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Peter Hwang
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IRIX
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LaueView
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Use for data processing of Laue Frames as an alternative to the CCP4 Laue Program Suite
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Pinar Erciyas
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IRIX
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Main
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MAIN is an interactively driven computer program dealing with computational parts of macromolecular crystallography in progressively automated manner
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Mead
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MEAD is a set of software objects for the purpose of modeling the electrostatics of molecules
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| MIFit |
MIFit is a fitting and molecular modeling program (Manual PDF) |
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PC Linux
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| Modeller |
A Program for Protein Structure Modeling |
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PC Linux, MacOSX, IRIX
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Mosflm 7.0.1
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Data reduction, integration of X-ray data
Bug for Mosflm & SCALA
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Chris Waddling
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Alpha Linux, IRIX, PC Linux, OSF/1 & MacOSX
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MSMS
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Molecular Surfaces Computation
User Commands
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Pascal Egea
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MacOSX
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NAMD
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NAMD is a parallel, object-oriented molecular dynamics code designed for high-performance simulation of large biomolecular systems.
User Guide v2.5b1
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Neema Salimi
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Alpha Linux, MacOSX
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PHASER-1.3.3
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Phaser is a program for phasing macromolecular crystal structures with maximum likelihood methods
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IRIX, PC Linux, OSF1, & MacOSX
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PHASES
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Bill Furey's program for derivative refinement and some density leveling.
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OSF/1 & IRIX
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| Phenix-1.3 |
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NO CONTACT
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IRIX, PC Linux
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SHARP
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Heavy atom refinement program.
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Chris Waddling
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Alpha Linux & IRIX
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SHELX-97
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Refinement using structure factor summation-mainly for use with high resolution data
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Chris Waddling
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Alpha Linux, PC Linux, IRIX, OSF/1 & MacOSX
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SnB v2.2
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A dual-space, direct-methods procedure for determination of MIR and MAD heavy atom substructure.
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NO CONTACT
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IRIX, OSF/1
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Solve-2.13 &
ReSolve-2.13
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Automated crystollagraphic structure solution for MIR and MAD-locate heavy atoms, calculate phases.
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NO CONTACT
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Alpha Linux, IRIX, PC Linux, OSF/1 & MacOS X
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Vega 1.5.1
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Creates a bridge between most of the molecular software packages
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| XDS |
X-ray Detector Software for processing single-crystal monochromatic diffraction data recorded by the rotation method. |
Earl Rutenber
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IRIX, PC Linux, and MacOSX
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xplor
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Model refinement
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Neema Salimi
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Alpha Linux, IRIX & OFS/1
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