Protein Crystallography Facility

  • Software Applications

    The Core Facility is a member of the SBGrid Consortium which provides access to the latest versions of over 280 structural biology software packages including the popular ones for crystallography, SAXS and molecular modeling. 

    Software tutorials and step-by-step instructions are available for trained and approved investigators under the "Investigator Resources" link at left.

    The following software applications are available for investigator use on facility instrumentation.

    Data Collection

    Software Version
    Structure Studio 2.0

    Data Processing

    Software Version
    d*TREK 9.9L
    XDS  
    mosflm  
    imosflm  
    adxv 1.9.6

    Structure Determination

    Software Version
    ARP/wARP 7.0.1
    BnP 1.02
    Buster  
    CCP4 suite 6.3.0
    CNS 1.21
    Phaser 2.1.2
    Phenix 1.6-289
    SHARP 2.6.0
    autoSHARP 3.8.0
    SHELX SHELX-97
    SnB 2.3
    SOLVE/RESOLVE 2.13

    Model Fitting

    Software Version
    O 13.0
    Coot 0.6

    Visualization

    Software Version
    PyMOL 1.5
    Yasara 9.11.9
    Chimera 1.4
    DiscoveryStudio 2.5
    Sybyl 8.1

    Modeling

    Software Version  
    AutoDock 4.0.1
    AutoDockTools 1.5.2-30
    Ligplot 4.4.2
    Modeller 10
    Dock 6.2
    zdock 3.0.1
    APBS 1.10

    Other Tools

    Software Version
    USF  
    WHATIF  
    CAVER  
    RASMOL  
    ClustalW  
    naccess 2.1.1
    BioPython 1.51b
    ATSAS (SAXS) 2.3.1-2