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  • Modelling Software

    N.B. These pages are under almost continual re-construction! To stay current on the state of the software, subscribe to the X-rayLab email list.

    The old software pages are still available here, but may not be kept up to date.

    Click on a link below to see the software within that category


    1. All software
    2. Crystallography
    3. Miscellaneous
    4. Modelling
    5. Molecular Biology and Biochemistry

    Click on program name for more information

    ProgramLicense typeWeb pageManualVersionsOperating systems/prog/setup name
    Modelling Structural analysis
    APBSFOSSWebManual0.3.1GNU/Linux IRIXapbs
    CSDproprietaryNoneManual5.26, 5.25, 2006GNU/Linux IRIXcsd
    Curvesunknown checkingWebManual5.1IRIXcurves
    DelPhiunknown checkingWebManual4GNU/Linux IRIXdelphi
    DSSPunknown checkingWebManualN/AGNU/Linuxdssp
    MODELLERproprietaryWebManual7.7GNU/Linux IRIXmodeller
    MogulproprietaryWebManualbetaGNU/Linuxmogul
    naccessunknown checkingNoneNone2.1.1GNU/Linuxnaccess
    NEWHELIXunknown checkingNoneManual93GNU/Linux IRIXnewhel
    X3DNAunknown checkingWebManual1.4.3, 1.2.1GNU/Linux IRIXx3dna
    Modelling
    3D-DOCKunknown checkingWebManual2,GNU/LinuxN/A
    AutoDockacademicWebManual2.4?GNU/Linux IRIXautodock
    CHARMMproprietaryWebManual31b1, 30b1, 30GNU/Linux IRIXcharmm
    FTDockFOSSWebManual2, 1GNU/Linuxftdock
    GROMACSFOSSWebManual3.2.1-1GNU/Linuxgromacs
    HEXunknown checkingWebManual3.0GNU/Linux IRIXhex
    MMTKFOSSWebManual2.0GNU/Linux IRIXN/A
    NAMDFOSSWebManual2.6b1, 2.5b1, 2.4b2GNU/Linux IRIXnamd
    NAMOTFOSSWebNone2IRIXnamot2
    OpenBabelFOSSWebManual2.0.2GNU/Linuxopenbabel
    QuantaproprietaryWebManual2006,IRIXquanta2000
    SYBYLproprietaryWebManual7.3, 7.1, 7.0, 6.7, 6.6GNU/Linux IRIXsybyl
    UNICHEMunknown checkingWebManual4.1, 5.0IRIXunichem
    Visualization
    BobScriptproprietaryWebManualN/AIRIXbobscript
    CONSCRIPTFOSSWebManualN/AGNU/Linux IRIXconscript
    DINOunknown checkingWebManual0.8.4, 0.8.2GNU/Linux IRIXdino
    GRASPproprietaryWebManualN/AIRIXgrasp
    KinemageproprietaryWebManual5.93GNU/Linux IRIXkinemage
    LIGPLOTacademicWebManual4.1.1IRIXligplot
    MEADunknown checkingWebManual2.5GNU/Linux IRIXmead
    MOLMOLacademicWebManual2k.1GNU/Linux IRIXmolmol
    MOLSCRIPTacademicWebManual2.1.2, 2.0.2, 202GNU/Linux IRIXmolscript
    MSMSunknown checkingWebManual2.5.3GNU/Linux IRIXmsms
    NUCPLOTacademicWebManual1.0GNU/Linux IRIXnucplot
    POVScriptFOSSWebManual2.1.1, 1.3_rc2GNU/Linuxpovscript
    PROMOTIFunknown checkingWebManual2.0IRIXpromotif
    PyMOLFOSSWebManual0.99rc1, 0.98, 0.97fc, 0.97GNU/Linuxpymol
    RASMOLFOSSWebManualN/AGNU/Linuxrasmol
    Raster3dFOSSWebManual2.6b,GNU/Linux IRIXraster3d
    Ribbonsunknown checkingWebManual3.15_opengl, 3.15, 3.14, 3.1GNU/Linux IRIXribbons
    Setorunknown checkingWebManual4.14.19IRIXsetor
    Swiss-PdbViewerproprietaryWebManual3.5GNU/Linux IRIXspdbv
    TkRaster3DFOSSNoneNone2.5IRIXtkraster3d
    TOPSunknown checkingWebManualN/AGNU/Linux IRIXtops
    VMDFOSSWebManual1.8b2, 1.7.1, 1.7, 1.6.1GNU/Linux IRIXvmd
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