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Installation README

  • Website:
    http://www.ccpem.ac.uk/download.php

  • Source:
    http://www.ccpem.ac.uk/downloads/ccpem_distributions/ccpem-1.3.0-linux-x86_64.tar.gz

  • Licence:
    http://www.ccpem.ac.uk/licensing/ Please follow the licensing details and download ccp-em.

  • Prerequisites: To build this container the following software is required:

          - CCP-EM - http://www.ccpem.ac.uk/downloads/ccpem_distributions/ccpem-1.3.0-linux-x86_64.tar.gz
                  - to deploy CCP-EM, a Modeller licence key is required (free for academic use). 
                  - Please follow the link on the CCP-EM downloads page for further details. 
                  - Once the key has been obtained edit the file 'input.txt' and replace the line 'MODELLER-KEY-GOES-HERE' with the key.
                  
      - CCP4   - http://www.ccp4.ac.uk/download/#os=linux 
                 - The container was originally constructed with CCP4 version 'ccp4-7.0.072-shelx-arpwarp-linux64.tar.gz'. 
                 - Archives of CCP4 are not available from this site. 
                 - You may need to edit the '%files' and '%post' section in the recipe file 'ccp-em_v1.3.0-cuda-9.0.def' to update the name of the CCP file.
      
      Place all files in the same folder as the recipe file (ccp-em_v1.3.0-cuda-9.0.def).
      To build the container: sudo singularity build ccpm.simg ccp-em_v1.3.0-cuda-9.0.def

  • Run:

          singularity exec --nv imageFileName.simg vglrun ccpem
      singularity exec --nv imageFileName.simg vglrun relion

  • Test:

          singularity exec --nv imageFileName.simg vglrun ccpem