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NCMI Workshop on Single Particle Reconstruction, Structural Variability and Modeling

Oct 30 - Nov 2, 2015

It is critical that you install and test all required software before arriving at the workshop.

We may add some additional data files here before the workshop. While these will be optional, we'd encourage you to check back on this page a day or two before the workshop to see if there are any last minute additions.

There are a number of tools you will need to take part in all of the tutorials, and it could easily take you a day to get everything set up and working, so please don't wait until the last minute. We are happy to assist people via email in advance of the workshop. You will not be able to complete installation on-site! Please come prepared, so we can all have a good experience!

Following is a list of the various software packages which will be used in the tutorial and demo sessions. Installation difficulty varies among these. We have tried to identify the most critical packages, and how each will be used. If you run into one you cannot readily install, you can skip it, and just observe the relevant tutorial:

  • EMAN/SPARX 2.12 (or snapshot version released after Oct. 19, 2015) - (day 1 - 2) Required. Do not use an older version.

  • Relion 1.4 (optional, day 2-3) - The Relion session will largely be a demo. Linux users may opt to install so they can explore with the demo.

  • Chimera Daily Build Oct. 17 or later - For PDB viewing and Segger tutorial (day 4, specific version required)

  • Gorgon - Gorgon Tutorial (day 4) Please install the appropriate binary AND

  • Phenix - (end of day 4) real-space refinement of models

  • LKH Solver - (day 4 - pathwalker), required only for the pathwalker tutorial, see below

  • OpenMPI and PyDusa (day 2-3) SPARX tutorial may also largely be a demo, see below

You will also need all of the demonstration data, which we will use when going through the tutorials:

While you are also welcome to bring your own data to play with, we strongly encourage you to download the official tutorial data as well. There is nothing to configure after downloading these files, simply unpack them into a convenient folder on your hard drive.

Additional information about installation

These are not additional downloads, but rather are links which may assist in installing some of the required packages above.

  • Please insure that you meet the specific version requirements above for each software package. Tutorials will be tested only on these specific versions.
  • OpenMPI/Pydusa - Most SPARX tasks require MPI to run correctly, and are normally used on clusters. It is possible to install MPI on a single laptop/desktop as well, and requires minimal work or configuration to do so, you will simply be limited to the number of CPUs available on your laptop. Much of the SPARX presentation will be 'demo style' rather than a formal tutorial anyway, so you will not miss too much if you don't get MPI configured. Instructions are available here.

  • Due to the required computation for most Relion refinements, Sjors plans to run a demo-style session rather than a tutorial. However, if you install Relion, you may be able to experiment with it a bit during the session. This is recommended only for users with Linux on their laptops.
  • Chimera and Phenix have some restrictions on commercial use. If you work for a commercial entity, and your IT group will not install these packages, you will still be able to directly participate in most of the workshop. Phenix will only be used at the very end of day 4 to learn about real-space refinement. Chimera will be used on day 4 for a segmentation tutorial. It is also a useful utility to have available, but should otherwise not be strictly required.
  • Warning - there may be some minor issues with EMAN/SPARX 2.12 on MacOS ElCapitan. If you have not upgraded, you may consider delaying until after the workshop.

  • Installing EMAN2/SPARX:
  • Installing Phenix:
    • Go to and click request download instructions.

    • Register ( with institutional email address.

    • Then an email with a password for the download will be sent to the registered email address.
    • Use the provided link and password to download the latest official release (for example: Latest official release: 1.10.1-2155 (10-06-2015)).
    • The user should then install the command line operator version for their particular operating system.
    • Unzip the downloaded file (~918MB) and follow the install instructions in the README file (you may need to use > sudo ./install). I would suggest to install in the default directory (usr/local/..).

    • Once you have successfully installed PHENIX, to set up your environment please source the phenix_env file in the phenix installation directory (as stated in the README file).
  • Installing LKH Solver
    • For linux you can download source and compile using the link above
    • For the Mac
      • You can build from source if you have Xcode - or -
      • We are providing a Mac binary lkh you can 'chmod a+x lkh' then copy to /usr/local/bin (or another folder in your $PATH)

    • For Windows, there is a binary version available: