Releases: xchem/fragalysis-stack
Releases · xchem/fragalysis-stack
Generate sequence from pdb file
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
Merge pull request #45 from m2ms/master fix environments of FE in travis config
Add ability to search molecules and compounds by target
Improves searchability of data (for outside applications)
Patch: search method on cset
- 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
- 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
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
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
Revert changes introduced from keycloack authentication PR
Merge pull request #45 from m2ms/master fix environments of FE in travis config
Missed import
Missed import in last release