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Version 3.0.4 downloads

Version 3.0.4 downloads

Please inform us of any bugs, issues or feature requests via our online forum:

https://www.ccpn.ac.uk/forums/

    MacOSX Download

    For OSX versions 10.15.x (Catalina) and 11.x (Big Sur):

    Command-line executables:

    https://www.ccpn.ac.uk/download/3.0.4/ccpnmr3.0.4MacOSCatalina.tgz

    Launcher App (Beta):

    https://www.ccpn.ac.uk/download/3.0.4/CatalinaCcpNmrLauncher.dmg

     

    For OSX versions up-to  10.14.4 (Mojave):

    Command-line executables:

    https://www.ccpn.ac.uk/download/3.0.4/ccpnmr3.0.4MacOS.tgz

    Launcher App (Beta):

    https://www.ccpn.ac.uk/download/3.0.4/CcpNmrLauncher.dmg

     

    MacOs installation:

    Command-line:

    When you have downloaded the .tgz, just uncompress it where you want it on your disk (no blank spaces in the directory path!),

    e.g. tar xzf ccpnmr3.0.4MacOS.tgz ~/home/user/projects

    To start the program, open up an ordinary Mac terminal window and simply run bin/assign in the ccpnmr3 top directory. You can add the bin/ directory to your PATH, in which case you will then be able to run it just by typing assign. (Creating a symbolic link to assign will not work.). Alternatively, create an alias in your .bash or .cshrc.

    In some systems you might need to remove the executables from the quarantine. After extracting the compressed file you will need to run the following command in the directory where you have placed the ccpnmr3.0.4 directory:
    sudo xattr -rd com.apple.quarantine ccpnmr3.0.4

    See our video tutorial on command line installation of Analysis here.

     

    Launcher App:

    Please make sure you follow the instructions in the installer window.

    The first time you launch the App you will probably have to open it with right-click / Open in order to verify that you want to open an App from an unregistered Developer (in future we hope to gain official Apple Developer status, but as yet we don't have this).

    If you encounter any errors that the App 'can't be opened' or 'is damaged', please go to System Preferences / Security & Privacy / General and select Allow apps downloaded from Anywhere.
    If Anywhere is not an option, open a terminal window and enter: 
    sudo spctl --master-disable
    and then try opening the app again via right-click / Open
    Once you have opened the Launcher once this way, you should be okay and can set you security settings back to Allow apps downloaded from App Store or App Store and identified developers.

    If these steps still give errors, please use the Command-line distribuition.

     

    Linux Download

    https://www.ccpn.ac.uk/download/3.0.4/ccpnmr3.0.4CentOS7.tgz

    https://www.ccpn.ac.uk/download/3.0.4/ccpnmr3.0.4OpenSUSE15.0.tgz

    https://www.ccpn.ac.uk/download/3.0.4/ccpnmr3.0.4Ubuntu16.04.tgz

    e.g.: tar xzf ccpnmr3.0.4CentOS7.tgz ~/home/users/projects

    This might also work for some other flavours of Linux (please let us know if they do!). If they do not work for a particular Linux variant, please contact us to see if we can work with you to get a distribution ready.

    See our video tutorial on command line installation of Analysis here.

    To run the program, open a terminal window and run bin/assign in the ccpnmr3 top directory.  You can add the bin/ directory to your PATH, in which case you will then be able to run it just by typing assign. (Creating a symbolic link to assign will not work.). Alternatively, create an alias in your .bash or .cshrc.

    Example data files and tutorial projects can be downloaded below.

    In the unusual event that you get the following error message (or very similar) on CentOS7:

    error while loading shared libraries: libXss.so.1

    then please run the following command from a terminal window:

    yum install libXScrnSaver

    to install the missing dependencies.

    Windows10 Download - beta version

    https://www.ccpn.ac.uk/download/3.0.4/ccpnmr3.0.4Windows.zip

    Unzip the file (this may be quite a slow process) and then double-click on the update.bat, once updates are complete, run  assign.bat file to start the program.

    This is a beta version and you may still encounter various bugs. Please let us know on the forumor by e-mail (ccpnmr3@gmail.com) if you encounter any problems, so we can help to fix them.

    We recommend running the program on a 64-bit computer with minimum i5 processor. The program may be slow to start up, but should then run okay. You can improve the performance by installing the program on a solid state drive (SSD).

    Example data files and tutorial projects can be downloaded below.

    Tutorial Data

    The following downloads contain the data for our tutorials.

    https://www.ccpn.ac.uk/download/3.0.4/data3.0.4.zip

    https://www.ccpn.ac.uk/download/3.0.4/data3.0.4.tgz

     

    Changes from V3.0.3

    -- General --

    * MacOS BigSur release with ARM compatibility

    * General bug fixes for an improved stability
    * General graphical speed optimisations
    * Improvements to Drag & Drop of NmrAtoms for ambiguous peak assignments:
    now you can assign  NmrAtoms to any peak from the Sidebar, regardless the isotopeCode/axisCode match.
    * New macro for calculating Distance Restraints from a PeakList (alpha-testing)
    * Support for small molecules. New chains can be defined & imported into AnalysisAssign
    * General bug fixes for the NEF parser
    * Licence has now been extended to 2100 for usability
    -- ChemBuild --
    * Fixed ChemComp (xml) export
    * Pseudoatom support added
    * General GUI bug fixes for improved stability
    * PythonConsole added for direct macro-writing

     

     

    Notes for Analysis v2 Users

    If you open up an Analysis v2 project in v3 then it will automatically get converted to v3 format. The main difference between the formats for v2 and v3 is that in v3 the top-level directory has a ".ccpn" suffix attached, and the xml files are one level further down, in the sub-directory ccpnv3 of the project directory (inside that sub-directory you will find memops/, ccp/ and ccpnmr/, as usual).

    * General graphical speed optimisations* Improvements to Drag & Drop of NmrAtoms for ambiguous peak assignments:* Licence has now been extended to 2100 for usability* Fixed ChemComp (xml) export