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Releases: xchem/fragalysis-stack

Generate sequence from pdb file

15 Mar 16:10
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Add a view to parse a pdb file (by id, pdb block or path) and spit out a sequence

Add ability to search molecules and compounds by target

14 Mar 17:53
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Merge pull request #45 from m2ms/master

fix environments of FE in travis config

Add ability to search molecules and compounds by target

14 Mar 17:44
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Improves searchability of data (for outside applications)

Patch: search method on cset

10 Mar 13:57
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  • try exact searching for protein/molecule from ref_pdb and ref_mols
  • if exact search doesn't work, use first in list from filter (splitting name by _)

Keycloak integration

10 Mar 11:27
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  • Move to using keycloak for authorisation
  • add option to log in via. orcid
  • additional validation steps fort set upload
  • emails sent when test uploaded

CSV fixes

03 Mar 11:50
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This version contains following CSV fixes and improvements:

  • now the compounds ids are correctly displayed after user selects compounds using 'Select All' button
  • now the compound id columns are named after the vendor id and vendor id is stripped from the compound id
  • now only ids of the same vendor can reside in given column (were mixed in previous version)

Janssen MVP

25 Feb 15:55
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Includes:

  • vendor and id in vector selector
  • add molecules from vector selector to selected compounds
  • download csv of selected compounds inc. vectors & computed sets

Typo

12 Feb 12:56
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Merge pull request #45 from m2ms/master

fix environments of FE in travis config

Revert changes introduced from keycloack authentication PR

12 Feb 10:31
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Merge pull request #45 from m2ms/master

fix environments of FE in travis config

Missed import

12 Feb 09:22
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Missed import in last release