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Merge branch 'release-2.4.0'
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- .gitlab-ci.yml 1 addition, 0 deletions.gitlab-ci.yml
- CHANGELOG.txt 33 additions, 0 deletionsCHANGELOG.txt
- CMakeLists.txt 2 additions, 2 deletionsCMakeLists.txt
- actions/CMakeLists.txt 2 additions, 0 deletionsactions/CMakeLists.txt
- actions/ost-compare-ligand-structures 438 additions, 0 deletionsactions/ost-compare-ligand-structures
- actions/ost-compare-structures 511 additions, 927 deletionsactions/ost-compare-structures
- actions/ost-compare-structures-legacy 1006 additions, 0 deletionsactions/ost-compare-structures-legacy
- cmake_support/OST.cmake 1 addition, 1 deletioncmake_support/OST.cmake
- docker/Dockerfile 7 additions, 5 deletionsdocker/Dockerfile
- modules/bindings/doc/bindings.rst 1 addition, 0 deletionsmodules/bindings/doc/bindings.rst
- modules/bindings/doc/dockq.rst 12 additions, 0 deletionsmodules/bindings/doc/dockq.rst
- modules/bindings/pymod/CMakeLists.txt 1 addition, 0 deletionsmodules/bindings/pymod/CMakeLists.txt
- modules/bindings/pymod/cadscore.py 67 additions, 15 deletionsmodules/bindings/pymod/cadscore.py
- modules/bindings/pymod/dockq.py 288 additions, 0 deletionsmodules/bindings/pymod/dockq.py
- modules/bindings/src/tmalign/HwRMSD.cpp 66 additions, 41 deletionsmodules/bindings/src/tmalign/HwRMSD.cpp
- modules/bindings/src/tmalign/HwRMSD.h 98 additions, 58 deletionsmodules/bindings/src/tmalign/HwRMSD.h
- modules/bindings/src/tmalign/Kabsch.h 2 additions, 2 deletionsmodules/bindings/src/tmalign/Kabsch.h
- modules/bindings/src/tmalign/MMalign.cpp 680 additions, 0 deletionsmodules/bindings/src/tmalign/MMalign.cpp
- modules/bindings/src/tmalign/MMalign.h 1194 additions, 0 deletionsmodules/bindings/src/tmalign/MMalign.h
- modules/bindings/src/tmalign/NW.h 91 additions, 11 deletionsmodules/bindings/src/tmalign/NW.h
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