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schroedinger-coordgenlibs 3.0.0-2
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  • area: main
  • in suites: bookworm, sid
  • size: 1,228 kB
  • sloc: cpp: 17,894; python: 128; makefile: 8

Folder: 3.0.0-2

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d .. (parent)
d d rwxr-xr-x 83 .azure-pipelines
d d rwxr-xr-x 140 .pc
d d rwxr-xr-x 70 cmake
d d rwxr-xr-x 4,096 debian
d d rwxr-xr-x 57 example_dir
d d rwxr-xr-x 33 project.xcworkspace
d d rwxr-xr-x 4,096 test
d d rwxr-xr-x 30 xcshareddata
- - rw-r--r-- 1,879 .clang-format
- - rw-r--r-- 45 .gitignore
- - rw-r--r-- 4,607 CMakeLists.txt
- - rw-r--r-- 338 CoordgenConfig.hpp
- - rw-r--r-- 40,049 CoordgenFragmentBuilder.cpp
- - rw-r--r-- 6,695 CoordgenFragmentBuilder.h
- - rw-r--r-- 15,318 CoordgenFragmenter.cpp
- - rw-r--r-- 3,617 CoordgenFragmenter.h
- - rw-r--r-- 44,151 CoordgenMacrocycleBuilder.cpp
- - rw-r--r-- 12,693 CoordgenMacrocycleBuilder.h
- - rw-r--r-- 61,642 CoordgenMinimizer.cpp
- - rw-r--r-- 14,232 CoordgenMinimizer.h
- - rw-r--r-- 181,267 CoordgenTemplates.cpp
- - rw-r--r-- 483 CoordgenTemplates.h
- - rw-r--r-- 717 Info.plist
- - rw-r--r-- 1,518 LICENSE
- - rw-r--r-- 5,172 README.md
- - rw-r--r-- 2,054 azure-pipelines.yml
- - rw-r--r-- 4,182 mol_generator.py
- - rw-r--r-- 27,079 project.pbxproj
- - rw-r--r-- 21,044 qt_makeqmake.mak
- - rw-r--r-- 1,928 qt_preprocess.mak
- - rw-r--r-- 2,490 sketcherMaeReading.h
- - rw-r--r-- 132,471 sketcherMinimizer.cpp
- - rw-r--r-- 21,788 sketcherMinimizer.h
- - rw-r--r-- 52,519 sketcherMinimizerAtom.cpp
- - rw-r--r-- 9,992 sketcherMinimizerAtom.h
- - rw-r--r-- 4,827 sketcherMinimizerBendInteraction.h
- - rw-r--r-- 6,299 sketcherMinimizerBond.cpp
- - rw-r--r-- 3,765 sketcherMinimizerBond.h
- - rw-r--r-- 2,270 sketcherMinimizerClashInteraction.h
- - rw-r--r-- 1,226 sketcherMinimizerConstraintInteraction.h
- - rw-r--r-- 3,201 sketcherMinimizerEZConstrainInteraction.h
- - rw-r--r-- 13,583 sketcherMinimizerFragment.cpp
- - rw-r--r-- 8,577 sketcherMinimizerFragment.h
- - rw-r--r-- 2,025 sketcherMinimizerInteraction.h
- - rw-r--r-- 8,518 sketcherMinimizerMarchingSquares.cpp
- - rw-r--r-- 2,909 sketcherMinimizerMarchingSquares.h
- - rw-r--r-- 24,110 sketcherMinimizerMaths.h
- - rw-r--r-- 7,874 sketcherMinimizerMolecule.cpp
- - rw-r--r-- 3,854 sketcherMinimizerMolecule.h
- - rw-r--r-- 434 sketcherMinimizerResidue.cpp
- - rw-r--r-- 1,841 sketcherMinimizerResidue.h
- - rw-r--r-- 924 sketcherMinimizerResidueInteraction.cpp
- - rw-r--r-- 1,053 sketcherMinimizerResidueInteraction.h
- - rw-r--r-- 4,154 sketcherMinimizerRing.cpp
- - rw-r--r-- 2,278 sketcherMinimizerRing.h
- - rw-r--r-- 1,566 sketcherMinimizerStretchInteraction.h
- - rw-r--r-- 158,294 templates.mae