NMRPipe installation on Ubuntu 14.04 (LTS)

  1. Download NMRPipe, including all 5 files.


    Reference: F. Delaglio, S. Grzesiek, G. W. Vuister, G. Zhu, J. Pfeifer and A. Bax: NMRPipe: a multidimensional spectral processing system based on UNIX pipes. J. Biomol. NMR. 6, 277-293 (1995).

  2. Make an experimental directory and move the files there. This requires either the sudo command or login as the super user.

    $ sudo mkdir /opt/NMRPipe
  3. To move files into this new directory, go back to the directory you have saved the files and then move the files.

    $ cd ~/Downloads
    $ sudo mv NMRPipeX.tZ install.com binval.com talos.tZ dyn.tZ /opt/NMRPipe
  4. Change permissions, and decompress the following files.

    $ sudo chown -R username:username /opt/NMRPipe
    $ cd /opt/NMRPipe
    $ tar xvzf NMRPipe.tZ
    $ tar xvzf talos.tZ
    $ tar xvzf dyn.tZ
  5. Install the necessary Ubuntu packages.

    $ sudo apt-get install libc6-i386 libx11-6:i386 libxext6:i386
  6. Install NMRPipe

    $ ./install.com
  7. Edit your ~/.bashrc file. (This assumes you’re using a bash shell by default)

    $ nano ~/.bashrc

    Add the following to your bash shell script:

    export PATH=$PATH:/opt/NMRPipe/nmrbin.linux9/:/opt/NMRPipe/com/:/opt/NMRPipe/nmrtxt/:/opt/NMRPipe/nmrtcl/:/opt/NMRPipe/dynamo/tcl/:/opt/NMRPipe/dynamo/com
    export baseDir=/opt/NMRPipe export NMRBASE=$baseDir
    export NMRTXT=$baseDir/nmrtxt export NMRCOM=$baseDir/nmrcom
    export NMRBIN=$baseDir/nmrbin.linux9
    export NMRCHECK=ALL
    export NMR_TCLTK8=TRUE export NMRPIPE_TCL_LIB=/opt/NMRPipe/nmrtcl/tcl8.4
    export TCL_LIBRARY=/opt/NMRPipe/nmrtcl/tcl8.4 export TK_LIBRARY=/opt/NMRPipe/nmrbin.linux9/lib/
    export BLT_LIBRARY=/opt/NMRPipe/nmrtcl/blt2.4z
    export NMRPIPE_TCL_LIB=/opt/NMRPipe/nmrtcl/tcl8.4
    export NMRPIPE_TK_LIB=/opt/NMRPipe/nmrtcl/tk8.4
    export NMRPIPE_BLT_LIB=/opt/NMRPipe/nmrtcl/blt2.4z
    export TCLPATH=/opt/NMRPipe/com
    # MFR stuff
    export DYNAMO_KEY=2002084
    export DYNAMO_DIR=$NMRBASE/dynamo
    export DYNAMO_PARAMS=$NMRBASE/dynamo/params
    export SURF_DIR=$NMRBASE/dynamo/surface
    export PDBH_BASE=/opt/mfr
    export PDBH_LIST=$PDBH_BASE/pdbH.list
    export PDBH_TAB=$PDBH_DIR/resolution.tab
    export talosDir=/opt/talos
    export SPARTAP_DIR=/opt/NMRPipe/spartaplus/
    export NMRBINTYPE=linux9
    export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/opt/NMRPipe/nmrbin.linux9/lib/
  8. Reload your new shell script.

    $ bash

Revision Log

  • 20160415 - Removed the LIBGL_DRIVERS_PATH environment variable from the bashrc file. This variable introduces problems with the proper loading of OpenGL libraries on the system.
  • 20150415 - Initial post

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