Commits · 57d3ca730671edd71680601d5dcb607496110fe3 · schwede / openstructure

May 25, 2023
- Clarify stereochemistry checks in CASP15 RNA scoring in Docker README · 57d3ca73
  Studer Gabriel authored 1 year ago
  
  57d3ca73
May 24, 2023
- update docker README to refer to new compare-structures action · 1d3c5a04
  Studer Gabriel authored 1 year ago
  
  1d3c5a04
May 23, 2023
- fix: qsscoring.QSscoreError no longer raised · ef01f4ea
  Xavier Robin authored 1 year ago
  
  ef01f4ea
- feat: add lDDT · e9974d17
  Xavier Robin authored 1 year ago
  
  e9974d17
- fix: commit the right version of the test script · 3b45117a
  Xavier Robin authored 1 year ago
  3b45117a
May 16, 2023
- refactor: update test script to use modern scorer · fa25403e
  Xavier Robin authored 1 year ago
  
  fa25403e
- test: SCHWED-5913 add checks for compound lib · 25d75db1
  Xavier Robin authored 1 year ago
  
  25d75db1
- doc: SCHWED-5913 new OST_COMPOUNDS_CHEMLIB in container READMEs · 637451ed
  Xavier Robin authored 1 year ago
  
  637451ed
Mar 09, 2023
- add voronota to Dockerfile · 68129053
  Studer Gabriel authored 2 years ago
  68129053
Mar 07, 2023
- Update version to 2.4.0 · 96153780
  Studer Gabriel authored 2 years ago
  
  View commits for tag 2.4.0-rc 2.4.0-rc
  
  96153780
- update Docker base image: ubuntu:22.04 · 54dae401
  Studer Gabriel authored 2 years ago
  
  54dae401
Jan 16, 2023
- feat: SCHWED-5783 add networkx dependency · 39e528b0
  Xavier Robin authored 2 years ago
  
  39e528b0
Jan 26, 2022
- Update version to 2.3.1 · f30f08a9
  Studer Gabriel authored 3 years ago
  
  f30f08a9
Jan 25, 2022
- remove unused var in Dockerfile · 726bb4f1
  Studer Gabriel authored 3 years ago
  
  726bb4f1
Dec 02, 2021
- simplify Dockerfile - remove MSMS · 8405d00e
  Studer Gabriel authored 3 years ago
  
  8405d00e
Nov 29, 2021
- Update README.rst · ff9f5b30
  Bienchen authored 3 years ago
  
  ff9f5b30
Nov 22, 2021
- drop dssp from Dockerfile · 6af076e4
  Studer Gabriel authored 3 years ago
  
  6af076e4
Oct 26, 2021
- Update version to 2.3.0 · 04cb8c42
  Studer Gabriel authored 3 years ago
  
  View commits for tag 2.3.0-rc 2.3.0-rc
  
  04cb8c42
Jun 30, 2021
- remove GUI support in Dockerfile · 203b0589
  Studer Gabriel authored 3 years ago
  203b0589
Jun 17, 2021
- Fix sciCORE GitLab URL in Dockerfile · 61c4ecd8
  B13nch3n authored 3 years ago
  
  61c4ecd8
Nov 18, 2020
- Update container base image from ubuntu:18.04 to ubuntu:20.04 · 49f564e2
  Studer Gabriel authored 4 years ago
  
  49f564e2
Nov 09, 2020
- Update version to 2.2.0 · 14ef4280
  Studer Gabriel authored 4 years ago
  
  View commits for tag 2.2.0-rc 2.2.0-rc
  
  14ef4280
Nov 08, 2020
- PYTHON_LIBRARIES is not required anymore in Dockerfile · 517c9816
  Studer Gabriel authored 4 years ago
  
  517c9816
Jul 23, 2020
- Update version to 2.1.0 · 74ba9aa5
  B13nch3n authored 4 years ago
  
  View commits for tag 2.1.0-rc 2.1.0-rc
  
  74ba9aa5
Mar 02, 2020
- Cosmetics · 64503dbe
  Bienchen authored 5 years ago
  
  64503dbe
- Cosmetics · a4edc727
  Bienchen authored 5 years ago
  
  a4edc727
- Mention container registry in documentation/ REAMDE · e4388088
  Bienchen authored 5 years ago
  
  e4388088
Feb 20, 2020
- Update GUI part of docker README.rst · 3d6d8233
  Gerardo Tauriello authored 5 years ago
  
  3d6d8233
- SCHWED-4638: Bump version numbers · 3e165475
  Bienchen authored 5 years ago
  
  3e165475
- SCHWED-4635: Add new compiler flags to container compilation · 172c0fa1
  Bienchen authored 5 years ago
  
  172c0fa1
Jan 10, 2020
- Update version to 1.11.0 · 99855c18
  Gerardo Tauriello authored 5 years ago
  
  99855c18
Dec 16, 2019
- avoid duplication of compound library · 19b45180
  Studer Gabriel authored 5 years ago
  19b45180
Dec 09, 2019
- export OPENSTRUCTURE_VERSION variable in docker container · a67af630
  Studer Gabriel authored 5 years ago
  
  a67af630
Dec 06, 2019
- updated Dockerfile · 6a3ee355
  Studer Gabriel authored 5 years ago
  
  6a3ee355
Nov 13, 2019
- Initial Python 3 port commit · 6e60b71d
  Studer Gabriel authored 5 years ago
  6e60b71d
Jul 02, 2019
- Update docker/README.rst · 14c8ec81
  Gerardo Tauriello authored 5 years ago
  
  14c8ec81
Jan 15, 2019
- container recipes for Docker/Singularity with Qt5 · 22276d9f
  Studer Gabriel authored 6 years ago
  22276d9f
Jan 10, 2019
- update Docker and Singularity files to use with SQLite3 · f503f663
  Studer Gabriel authored 6 years ago
  
  f503f663
Oct 23, 2018
- Fix charmm update of compounds.chemlib in recipes. · bffabd2b
  Gerardo Tauriello authored 6 years ago
  
  bffabd2b
Aug 14, 2018
- SCHWED-3409: Update install instructions for container images. · e4d7406a
  Gerardo Tauriello authored 6 years ago
  
  e4d7406a