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DOCKER FOR MAC SOCAT INSTALL
DOCKER FOR MAC SOCAT UPDATE
DOCKER FOR MAC SOCAT WINDOWS 10
DOCKER FOR MAC SOCAT ANDROID

Most Linux distros have a native XServer that can be accessed by Docker. To use the development branch NMRdock, replace latest with dev. Open Docker and execute docker run -it -v /c/:/home/ubuntu/data/ -e DISPLAY=x.x.x.x:0.0 compbiocore/nmrdock:latest /bin/bash This can be done in Command Line or Powershell On the third page, select the box next "Disable access control" to ensure that the Docker has access to the XServer. Use the default options on the first two pages by pressing the next button. Open XLaunch by double clicking on the Desktop Icon.Ī window will appear for you to set configurations.

DOCKER FOR MAC SOCAT INSTALL

Install Docker for Windows 7/8/10 Home or 10 Pro/Educational/Enterprise. This requires the installation of VcXsrv Windows XServer. To run this image on Windows, a few steps must be taken to enable X11 interfacing between the container and the host machine. Osascript -e 'tell application "Terminal" to do script "socat TCP-LISTEN:6000,reuseaddr,fork UNIX-CLIENT:\\\"$DISPLAY\\\""' set A = `ipconfig getifaddr en0 ` set C = ":0 compbiocore/nmrdock:latest /bin/bash" set B = "docker run -it -v /tmp/.X11-unix:/tmp/.X11-unix -v `pwd`:/home/ubuntu/data/ -w /home/ubuntu/data/ -e DISPLAY=$A$C" exec $B This can be done with the following script command: Where x.x.x.x is given by ifconfig getifaddr en0 and can be set to your `pwd` or the directory of your data. Leave the socat window open and open a new tab in terminal.ĭocker run -it -v :/home/ubuntu/data/ -v /tmp/.X11-unix:/tmp/.X11-unix -e DISPLAY=x.x.x.x:0 compbiocore/nmrdock:latest /bin/bash Socat TCP-LISTEN:6000,reuseaddr,fork UNIX-CLIENT:\"$DISPLAY\" With socat installed, open a terminal window and type: Use Homebrew or MacPorts to install socat:īrew install socat or sudo port install socat This requires the installation of XQuartz. To run this image on OSX, a few steps must be taken to enable X11 interfacing between the container and the host machine.

DOCKER FOR MAC SOCAT WINDOWS 10

Windows 10 Home Edition requires Docker Toolbox. NOTE: Docker Desktop does NOT work on Windows 10 Home Edition. You can then open the spectrum in sparky by executing sparky bruker2D.ucsf.ĭocker engine for Mac, Windows (Home), Windows (Pro, Educational, Enterprise), and Linux must be downloaded and installed in order to run the Docker Image. To convert the NMRPipe processed spectrum to the universal UCSF format, execute pipe2ucsf test.ft2 bruker2D.ucsf.

Congratulations! Your NMR spectrum is now processed.

Once the data is phased to your liking, you can close the NMRDraw window and return to the command line. However, the file for the included bruker data is already phased properly.

If you are using your own data, you can phase and alter the file yourself at this point.

Now we can view the processed spectrum in NMRDraw by executing nmrDraw, which will open up the nmrDraw window (this can take a few seconds).

To Fourier Transform the data, execute.

You can then close the window and return to the command line. Then press Save Script followed by Execute Script and the script will be executed to convert your Bruker formatted data into NMRPipe.

DOCKER FOR MAC SOCAT UPDATE

Read in the parameters by pressing the Read Parameters button.Ĭheck to make sure that the parameters were read in correctly and update any values that need to be updated. Once we are in the folder with our data, type the command bruker and the bruker command window will open up.

For the purposes of this tutorial, we are going to use the test data by typing into the command line:

NMRdock is able to access your computer through /home/ubuntu/data.

Luvit writes Lua applications like node. NMRdock Walkthrough Using NMRPipe to Process Bruker Data in NMRdockĬhange the directory into your dataset.

Call a third-party API and add an additional sentence to prevent error reporting.

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DOCKER FOR MAC SOCAT ANDROID

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