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    Deploy X-Ray Data Process Software on Linux

    Jayden\'s site发表于 2024-05-25 09:45:53
    love 0
    该渲染由 marked 生成,可能存在排版问题,最佳体验请前往:https://xxu.do/posts/structure/Deploy-X-Ray-Data-Process-Software-on-Linux

    ==This note is based on Linux Mint 21.3==, it should be also useful if you running a Ubuntu.

    XDS Related Software

    Reference:https://wiki.uni-konstanz.de/xds/index.php/Installation

    1. XDS package:
    wget https://xds.mr.mpg.de/XDS-INTEL64_Linux_x86_64.tar.gz --no-check-certificate
    # For some reason, wget cannot verify the server's SSL Certificates, add the --no-check-certificate parameter to igonre it
    
    tar -xzvf XDS-INTEL64_Linux_x86_64.tar.gz
    mv XDS-INTEL64_Linux_x86_64 /usr/local/bin/
    ln -sf /usr/local/bin/XDS-INTEL64_Linux_x86_64/* /usr/local/bin/
    1. Other programs: XDS-Viewer, XDSSTAT, XDSCC12, XDSGUI, XSCALE_ISOCLUSTER, spot2pdb, generate_XDS.INP
    mkdir -p $HOME/xds-dep && cd $_
    wget -N https://wiki.uni-konstanz.de/pub/linux_bin/get_folder.sh
    chmod +x get_folder.sh
    sudo ./get_folder.sh
    rm -rf $HOME/xds-dep
    
    #As root, programs will be installed into /usr/local/bin/linux_bin, and links them to /usr/local/bin.
    #As a normal user, programs will be installed to HOME/bin/linux_bin, and linked to your $HOME/bin.
    
    sudo apt install -y libxcb-xinerama0 xxdiff libqt5gui5 libqt5printsupport5 libqt5opengl5
    1. Option: check the installation(you may encounter the graphics packages error):
    ldd `which xdsgui` | grep found
    # The command should show you the libraries it didn't find.
    # Then you can install the libraries with commands:
    
    sudo apt update
    sudo apt upgrade
    sudo apt install -y <PackageName>
    1. XDS plugin that reads hdf5 files:
    sudo apt update
    sudo apt install -y build-essential libssl-dev libreadline-dev zlib1g-dev cmake git libgtk-3-dev qt5-default
    git clone https://github.com/dectris/neggia && cd neggia
    mkdir build && cd $_
    cmake .. -DCMAKE_BUILD_TYPE=Release
    cmake --build .
    sudo cp src/dectris/neggia/plugin/dectris-neggia.so /usr/local/bin/linux_bin
    echo export NEGGIA_PATH=/usr/local/bin/linux_bin/dectris-neggia.so >> $HOME/.bashrc
    source $HOME/.bashrc

    CCP4

    Reference: https://www.ccp4.ac.uk/download/installation.html

    1. Download Package Manager on this website, then:
    cd /path/to/download/folder
    tar -xvzf linux-x86_64_ccp4-8.0-setup.tar.gz
    ./ccp4-8.0-setup
    1. Follow the instructions in Setup Manager's pages, and remember check "modify command line environment" in 2nd page.

    Phenix

    Reference: https://phenix-online.org/documentation/install-setup-run.html

    1. Request a license on this website.

    2. Download software on this website.

    3. Install

      tar xvf phenix-installer-<version>-<platform>.tar
      cd phenix-installer-<version>
      
      # will make <directory>/phenix-<version> and install there
      ./install --prefix=<directory>  
      echo . /usr/local/phenix-<version>/phenix_env.sh >> $HOME/.bashrc
      source $HOME/.bashrc
    4. Then you can run phenix with phenix &

    autoPROC

    Reference: https://www.globalphasing.com/autoproc/download/academic/snapshot/Ubuntu1804_64bit/index.html

    1. Request a license on this website, the user and password used to download and a .licence file will be sent to your email.

    2. Installed CCP4 and XDS and set the environment as above.

    3. Pre-requirement:

      sudo apt-get install imagemagick
    4. Download

      mkdir -p $HOME/GPhL/autoPROC_snapshot_20240123 && cd$_
      wget --http-user=user --http-password=password https://www.globalphasing.com/autoproc/download/academic/snapshot/GPhL_autoPROC_snapshot_20240123_install.sh
      wget --http-user=user --http-password=password https://www.globalphasing.com/autoproc/download/academic/snapshot/GPhL_autoPROC_snapshot_20240123.linux64.tar
      # Put .license file into this directory
      # There should be three files in this directory: .tar, .sh, .licence
    5. Install

      chmod +x GPhL_autoPROC_snapshot_20240123_install.sh
      ./GPhL_autoPROC_snapshot_20240123_install.sh
      
      cd $HOME/GPhL
      rm -f autoPROC_latest
      ln -s autoPROC_snapshot_20240123 autoPROC_latest
      echo source $HOME/GPhL/autoPROC_latest/setup.sh >> $HOME/.bashrc
      source $HOME/.bashrc

    autoPX2

    1. You need to enter the QQ group to get more information, I provide a copy to download for convenience:

      cd $HOME
      wget https://pan.xxu.do/d/guest/local/autoPX2-beta3-Linux.tar.gz
      tar -xzvf autoPX2-beta3-Linux.tar.gz && cd $HOME/autoPX2-beta3-Linux
      echo export PATH=$HOME/autoPX2-beta3-Linux:$PATH >> $HOME/.bashrc
      source $HOME/.bashrc
      # You can choose the name of command to start the program, here is autopx
      ln -s autoPXgui.sh autopx
    2. Then you can use autoPX2 with the command autopx.

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