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rigdenlab / SIMBAD

Sequence Independent Molecular replacement Based on Available Database
http://simbad.rtfd.io
BSD 3-Clause "New" or "Revised" License
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Removed generation of map files following uglymol update #122

Closed hlasimpk closed 4 years ago

hlasimpk commented 4 years ago

The following was requested by Eugene:

Latest version of RVAPI in CCP4 Cloud uses new UglyMol from Marcin, which makes use of 'raw' .mtz files and calculates maps on client. This saves up to 80% of disk space in users' projects, and in terms of responsiveness, although on-client calculations take some time, the overall gain is positive due to decreased volume of data that needs to be downloaded from server.

I would like to ask you to revise your pipelines such that they neither generate nor send .map files to RVAPI any longer. The change should be next to trivial:

  • remove parts of code where you generate .map files for UglyMol
  • remove parts of code where you were give .map files to RVAPI functions
  • instead of giving .map files, give the original .mtz file with phases instead

Therefore I've removed the generation of .map files for UglyMol and altered the calls in rvapi to no longer reference them.