Jayden

==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/

2. 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

3. 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>

4. 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

2. 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

   Copy

   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:

   Copy

   sudo apt-get install imagemagick
   

4. Download

   Copy

   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

   Copy

   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:

   Copy

   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.

此文由 Mix Space 同步更新至 xLog
原始链接为 https://xxu.do/posts/structure/Deploy-X-Ray-Data-Process-Software-on-Linux