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CURRENT INFORMATION (IMPORTANT NEWS) - MARCH 2021

  • below you will find the fully completed 1st version of the NMR TUTORIAL including now the last, slightly more demanding part dedicated to the 2D ASAP-HSQC experiment
  • the completed set of files for the simulations with NMRSIM is now available and can be downloaded and installed as described at the appropriate site in the tutorial guide
  • for users who have already installed the (incomplete) set of NMRSIM files two posibilities (described below) exist to actualize this set including the few files used with the 2D ASAP-HSQC experiment by:
             OVERWRITING  or by

             UPGRADING
OVERWRITE YOUR NMRSIM FILES
STEP 1:
  • Activate the following ILIAS-link and cause the download of the completed (and compressed) file NMRSIM_FILES_TUTORIAL.zip to your local Downloads folder:
The download will start automatically.
In case the download does not start, configure your browser accordingly.
    STEP 2:
    • Open the download folder in a first window.
    • Open a second window and navigate to the directory /NMRSIM_SESSION (found in your personal user directory) with the folders config, ham, job, lists, pp, wave and wizard generated in the course of the TOPSPIN installation.
    • Note the entries in each of these folders delivered with the BRUKER TOPSPIN package, i.e. a set of corresponding configuration-, pulse program-. spin-system-, list- and wave-files for setting up a few demonstration experiments.
    • Note also the user subfolders, provided for storing your personal configuration-, pulse-program- etc. files.  
    STEP 3:
    • In the Download folder (first window) if not yet done automatically unzip the file NMRSIM_FILES_TUTORIAL.zip. Click on the unzipped directory which will uncover the folders config, ham, lists, pp and wave each of which contains a corresponding subfolder tutorial (see Fig. below).
    STEP 4:
    • Starting with the folder config (in the first window) click on it and – taking advantage of the drag-and-drop technique – move the tutorial subfolder into the config folder in the NMRSIM_SESSION directory (in the second window, i.e., on your computer):
    STEP 5:
    • According to the scheme above repeat this procedure one after the other with the residual tutorial subfolders for ham, lists, pp and wave.
    STEP 6:
    • Make sure that in your NMRSIM_SESSION directory any of the folders config, ham, lists, pp and wave has now been extended by a corresponding tutorial subfolder.
    • Inspect the various tutorial subfolders which should contain a series of corresponding configuration-, spin system (ham)-files, lists,  pulseprogram- and wave-files respectively, which will be used in the course of the tutorial. 
    UPDATE YOUR NMRSIM FILES
    STEP 1:
    • Activate the following ILIAS-link and cause the download of the completed (and compressed) file NMRSIM_FILES_TUTORIAL_UPGRADE.zip to your local Downloads folder:
    The download will start automatically.
    In case the download does not start, configure your browser accordingly.
      STEP 2:
      • Open the download folder in a first window.
      • Open a second window and navigate to the directory /NMRSIM_SESSION (found in your personal user directory) with the folders config/tutorial, ham/tutorial, job/tutorial, lists/tutorial, pp/tutorial, wave/tutorial and wizard/tutorial generated in the course of the TOPSPIN installation and containing the (incomplete) set of corresponding files
      STEP 3:
      • In the Download folder (first window) if not yet done automatically unzip the file NMRSIM_FILES_TUTORIAL_UPGRADE.zip. Click on the unzipped directory which will uncover the folders config, ham, lists, pp with the few corresponding files used with the 2D ASAP-HSQC simulations
      STEP 4:
      • Starting with the folder config (in the first window) click on the few configuration files and – taking advantage of the drag-and-drop technique – copy (add) them to the already exisiting cfg-files in the config/tutorial subfolder in the NMRSIM_SESSION directory (in the second window, i.e., on your computer):
      STEP 5:
      • According to the scheme above repeat this procedure one after the other with the residual tutorial subfolders for ham, lists and pp.
      • although the tutorial has now been completed, changes, small additions and corrections will be made continuously in the future. For this and for any errors that have been overlooked, I ask for your indulgence
           
               Peter Bigler


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