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__MACOSX
- libraries
  - ._.DS_Store
    
    120 Bytes
  - ._README.txt
    
    484 Bytes
  - MolDS
    - src
      - MolDS
        
        molds_rust
        
        src
        
        ._lib.rs
        
        176 Bytes
    - tests
      - ._cocaine.xyz
        
        276 Bytes
  - ProbAsn
    - src
      - ProbAsn
        
        ._assign.py
        
        176 Bytes
        
        ._sim.py
        
        333 Bytes
libraries
- .DS_Store
  
  10.2 kB
- MolDS
  - LICENSE
    
    18.6 kB
  - MANIFEST.in
    
    23 Bytes
  - README.md
    
    185 Bytes
  - install_env.sh
    
    169 Bytes
  - pyproject.toml
    
    390 Bytes
  - requirements.txt
    
    72 Bytes
  - setup.py
    
    696 Bytes
  - src
    - MolDS
      - __init__.py
        
        194 Bytes
      - alignment.py
        
        16.1 kB
      - crystal.py
        
        32.2 kB
      - math.py
        
        12.4 kB
      - molds_rust
        
        Cargo.lock
        
        8.4 kB
        
        Cargo.toml
        
        328 Bytes
        
        pyproject.toml
        
        319 Bytes
        
        src
        
        lib.rs
        
        14.5 kB
      - molds_rust.cpython-310-darwin.so
        
        2.4 MB
      - molds_rust.cpython-37m-darwin.so
        
        2.3 MB
      - molds_rust.cpython-39-darwin.so
        
        2.3 MB
      - nmr.py
        
        12.7 kB
      - plot.py
        
        20.0 kB
      - pyproject.toml
        
        314 Bytes
      - structure.py
        
        23.7 kB
      - utils.py
        
        7.9 kB
      - visualize.py
        
        6.0 kB
  - tests
    - cocaine.cif
      
      5.7 kB
    - cocaine.pdb
      
      7.0 kB
    - cocaine.xyz
      
      1.8 kB
    - cocaine_twice.pdb
      
      14.0 kB
    - shifts_H.npy
      
      160 Bytes
    - shifts_N.txt
      
      15 Bytes
    - test.pdb
      
      1.3 kB
    - test.xyz
      
      235 Bytes
    - test_alignment.py
      
      4.2 kB
    - test_math.py
      
      12.9 kB
    - test_nmr.py
      
      2.1 kB
    - test_structure.py
      
      19.3 kB
    - test_utils.py
      
      5.8 kB
    - tmp.py
      
      1.4 kB
- ProbAsn
  - db
    - place_db_files_here.txt
      
      39 Bytes
  - src
    - ProbAsn
      - __init__.py
        
        139 Bytes
      - assign.py
        
        38.4 kB
      - db.py
        
        11.5 kB
      - draw.py
        
        24.6 kB
      - graph.py
        
        15.5 kB
      - gui.py
        
        24.3 kB
      - sim.py
        
        32.6 kB
      - utils.py
        
        16.8 kB
- README.txt
  
  321 Bytes

libraries.zip