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Releases: xchem/fragalysis-stack

Migrate to python 3.7

06 Aug 12:16
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  • migrate back-end to python 3.7 (from 2.7)
  • use pymysql instead of mysql.connect in authorisation step to prevent infinite hang
  • use .read_csv instead of .from_csv in pandas metadata step in loader

Compound sets for unique targets

09 Jul 17:42
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fixes the bug where all compound sets are shown for all targets

Front-end RHS

09 Jul 13:36
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  • computed molecules on RHS

Serve all uploaded data

08 Jul 13:21
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  • Add field 'zip_archive' to Target model
  • On upload of data, data is moved to media/targets and zipped up
  • location passed to Target model
  • all uploaded data then accessible to users via path at 'zip_archive'

Include metadata in Targets view

06 Jul 11:23
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  • Include metadata file in targets view
  • include code to attach metadata in loader
  • include code to allow download of metadata from endpoint

Increase RHS data upload size and text to bools

23 Jun 09:08
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Incorporates backend pull request #176 changes:

  • Increases upload size to 25 mb
  • Bools from text scores
  • Creates data directories for uploaded data
  • Changes Docker compose settings to use Postgres DB

RHS liqourice default view and italic ranks

22 Jun 11:34
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Updating production with pull requests:
#374 - Set default view of ligands as liqourice
#372 - Display rank in italics on RHS

Computed Sets

15 Jun 17:47
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Introduction of computed sets, which are sets of molecules that have had their 3D structure calculated by some external computational methods.

Authentication update

12 Jun 16:07
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New important code in the back-end to re-enable authentication through CAS and against ispyb, which broke when we lost the site-site VPN.

First AWX production release

09 Jun 11:29
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Merge pull request #39 from InformaticsMatters/im-travis

Changes for kubernetes (a 'heads-up' PR)