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'''''It is critical that you install and test all required software before arriving at the workshop.''''' | '''''We strongly recommend bringing a 3 button (or 2 button+scroll) mouse. While it is possible to survive with a trackpad or one button mouse, there are many things in EMAN and Chimera where having additional mouse buttons is VERY useful.''''' |
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'''''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.''''' | The official agenda is on the [[http://ncmi.bcm.edu/ncmi/events/workshops/workshops_145|Workshop Page]] |
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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! | '''If you attended the workshop, PLEASE complete the survey:''' |
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Please insure that you have the following software packages installed: | [[http://goo.gl/forms/HFHlJ3BDJN]] '''Presentations from the Workshop''' (some of these have not been uploaded yet) * [[attachment:ludtke-overview.pdf||&do=get]] - Workshop Overview - Steve Ludtke * [[attachment:mcmullan-microscopy.pdf]] - Introduction to CryoEM - Greg !McMullan * [[attachment:penczek-alignment.pdf||&do=get]] - 2D Alignment Theory - Pawel Penczek * [[attachment:ludtke-minitalks.pdf||&do=get]] - CTF, Refinement, other topics - Steve Ludtke * [[attachment:baldwin-orientation.pdf]] - Orientation and Symmetry - Phil Baldwin * [[attachment:scheres-variability.pdf]] - Methods for Structural Variability - Sjors Scheres * [[attachment:scheres-heterogeneity.pdf]] - Methods for Heterogeneity Analysis - Sjors Scheres * [[attachment:McMullanIntro.pdf]] - Introduction to Electron Microscopes and Imaging Artifacts - Greg McMullan * [[attachment:McMullanDetector.pdf]] - Direct Detector Technology - Greg McMullan * [[attachment:pintilie.pdf]] - Chimera & Segger - Greg Pintilie * [[attachment:baker-model-building.pdf||&do=get]] - Model Building - Matt Baker * [[attachment:lawson-challenges.pdf]] - EMDB Challenges - Cathy Lawson '''Tutorials''' * [[attachment:EMAN2-12_Tutorial.pdf||&do=get]] * [[attachment:EMAN2-12_Tutorial2_heterogeneity.pdf||&do=get]] * Please note that e2refine_split has been improved significantly since 2.12. Suggest an update if using this method. * [[http://ncmi.bcm.edu/ncmi/software/segger/docs|Segger Tutorials]] * [[attachment:PathwalkerGorgonTutorial.pdf||&do=get]] * [[attachment:ModelOptimizationTutorial.pdf||&do=get]] * [[attachment:ModelValidationTutorial.pdf||&do=get]] '''Tutorial Data''' You will also need all of the demonstration data, which we will use when going through the tutorials: * [[attachment:Bgal.zip||&do=get]] * [[attachment:ribosome.zip||&do=get]] * [[attachment:segger_workshop_files.zip||&do=get]] * [[attachment:sparx_sorting.tgz||&do=get]] * [[attachment:ribosome_Relion.zip||&do=get]] * Data-Sets.zip from [[https://github.com/GorgonCryoEM/Gorgon/releases/tag/workshop-2015|Gorgon site]] * [[attachment:sparx_ctf.tgz||&do=get]] - NEW * [[attachment:Optimize-tutorial.zip||&do=get]] * [[attachment:Validate-tutorial.zip||&do=get]] '''Completed Tutorial Projects (large files)''' * [[attachment:Bgal-completed-tutorial.zip||&do=get]] (now available, warning, 6 GB download) * [[attachment:Optimize_Results.zip||&do=get]] '''Software used at the workshop:''' |
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* [[http://www2.mrc-lmb.cam.ac.uk/relion/index.php/Download_%26_install|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. * [[http://www.open-mpi.org/|OpenMPI]] and [[http://ncmi.bcm.edu/ncmi/software/counter_222/software_121|PyDusa]] (day 2-3) SPARX tutorial may also largely be a demo, but this is required if you wish to run any major SPARX tasks. |
* [[http://www2.mrc-lmb.cam.ac.uk/relion/index.php/Download_%26_install|Relion 1.4]] (optional, day 2-3) - The Relion session will largely be a demo. See comments below. |
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* Warning: we are aware of an issue with Gorgon on Ubuntu. Will remove this warning when resolved. Other Linux variants should be fine, now. | |
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You will also need all of the demonstration data, which we will use when going through the tutorials: * [[attachment:Bgal.zip]] * [[attachment:ribosome.zip]] * [[attachment:segger_workshop_files.zip]] * [[attachment:sparx_sorting.tgz]] * Data-Sets.zip from [[https://github.com/GorgonCryoEM/Gorgon/releases/tag/workshop-2015|Gorgon site]] ''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. |
* [[http://www.akira.ruc.dk/~keld/research/LKH/|LKH Solver]] - (day 4 - pathwalker), required only for the pathwalker tutorial, see below * [[http://www.open-mpi.org/|OpenMPI]] and [[http://ncmi.bcm.edu/ncmi/software/counter_222/software_121|PyDusa]] (day 2-3) SPARX tutorial may also largely be a demo, see below |
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=== Additional information about installation === | === Additional information and tips about software installation === |
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* There are detailed instructions on installing the EMAN/SPARX 2.12 binaries [[http://blake.bcm.edu/emanwiki/EMAN2/Install/BinaryInstall|in the Wiki]] * 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 [[http://blake.bcm.edu/emanwiki/EMAN2/Parallel/Mpi|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. |
* Mac users - If you are running El Capitan on your Mac (10.11) you will find there are a few bugs specific to this OS version we have not managed to fix yet. It should still be possible to complete the tutorial, but you will encounter a few annoyances. * 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 [[http://blake.bcm.edu/emanwiki/EMAN2/Parallel/Mpi|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. |
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* Installing EMAN2/SPARX: * Instructions are here: [[http://blake.bcm.edu/emanwiki/EMAN2/Install/BinaryInstall]] |
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* 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 [[attachment: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: [[http://www.akira.ruc.dk/~keld/research/LKH/lkh.exe]] |
NCMI Workshop on Single Particle Reconstruction, Structural Variability and Modeling
Oct 30 - Nov 2, 2015
We strongly recommend bringing a 3 button (or 2 button+scroll) mouse. While it is possible to survive with a trackpad or one button mouse, there are many things in EMAN and Chimera where having additional mouse buttons is VERY useful.
The official agenda is on the Workshop Page
If you attended the workshop, PLEASE complete the survey:
http://goo.gl/forms/HFHlJ3BDJN
Presentations from the Workshop (some of these have not been uploaded yet)
ludtke-overview.pdf - Workshop Overview - Steve Ludtke
mcmullan-microscopy.pdf - Introduction to CryoEM - Greg McMullan
penczek-alignment.pdf - 2D Alignment Theory - Pawel Penczek
ludtke-minitalks.pdf - CTF, Refinement, other topics - Steve Ludtke
baldwin-orientation.pdf - Orientation and Symmetry - Phil Baldwin
scheres-variability.pdf - Methods for Structural Variability - Sjors Scheres
scheres-heterogeneity.pdf - Methods for Heterogeneity Analysis - Sjors Scheres
McMullanIntro.pdf - Introduction to Electron Microscopes and Imaging Artifacts - Greg McMullan
McMullanDetector.pdf - Direct Detector Technology - Greg McMullan
pintilie.pdf - Chimera & Segger - Greg Pintilie
baker-model-building.pdf - Model Building - Matt Baker
lawson-challenges.pdf - EMDB Challenges - Cathy Lawson
Tutorials
EMAN2-12_Tutorial2_heterogeneity.pdf
- Please note that e2refine_split has been improved significantly since 2.12. Suggest an update if using this method.
Tutorial Data You will also need all of the demonstration data, which we will use when going through the tutorials:
Data-Sets.zip from Gorgon site
sparx_ctf.tgz - NEW
Completed Tutorial Projects (large files)
Bgal-completed-tutorial.zip (now available, warning, 6 GB download)
Software used at the workshop:
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. See comments below.
Chimera Daily Build Oct. 17 or later - For PDB viewing and Segger tutorial (day 4, specific version required)
- Warning: we are aware of an issue with Gorgon on Ubuntu. Will remove this warning when resolved. Other Linux variants should be fine, now.
Gorgon - Gorgon Tutorial (day 4) Please install the appropriate binary AND Data-Sets.zip
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
Additional information and tips about software 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.
- Mac users - If you are running El Capitan on your Mac (10.11) you will find there are a few bugs specific to this OS version we have not managed to fix yet. It should still be possible to complete the tutorial, but you will encounter a few annoyances.
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:
Instructions are here: http://blake.bcm.edu/emanwiki/EMAN2/Install/BinaryInstall
- Installing Phenix:
Go to http://www.phenix-online.org/download/ and click request download instructions.
Register (http://www.phenix-online.org/phenix_request/index.cgi) 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: http://www.akira.ruc.dk/~keld/research/LKH/lkh.exe