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XPlor-NIH

Quick instructions for installing XPlor-NIH.

Precompiled binaries for XPlor-NIH are available at http://nmr.cit.nih.gov/xplor-nih/

  1. download 2 files

    • a -db file: e.g. xplor-nih-2.18.0-db.tar.gz
    • a platform-specific file: xplor-nih-2.18.0-Linux_2.6_x86_64.tar.gz

    Note:

    Use version xplor...-Linux_2.4_i686.tar.gz for 32 bit Linux systems even if you have kernel 2.6.

    The following examples assume you downloaded the files into /tmp/

  2. unpack these files where you wish them to live:

    cd /usr/local/lib
    sudo tar zxvf /tmp/xplor-nih-2.18-db.tar.gz
    sudo tar zxvf /tmp/xplor-nih-2.18-Linux*.tar.gz
    
  3. configure xplor:

    cd /usr/local/lib/xplor-nih-2.18/
    sudo ./configure -symlinks /usr/local/bin
    

    The -symlink option creates symbolic links in the specified directory and is not necessary.

  4. Test your installation:

    bin/testDist
    

    This will take some minutes...

  5. Tell Biskit about Xplor

    Nothing needs to be done if a binary xplor is in your $PATH. Otherwise, adjust a local copy of exe_xplor.dat:

    cp ~/py/biskit/external/defaults/exe_xplor.dat ~/.biskit/
    vi ~/.biskit/exe_xplor.dat
    

    Adjust the parameter bin to the actual location of your xplor binary.

  6. Test Biskit / Xplor interface:

    cd ~/py/biskit/Biskit
    python Xplorer.py
    

Usage:
see Xplorer
Custom configuration:
see biskit/external/defaults/exe_xplor.dat