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rdkit 201203-3
  • links: PTS, VCS
  • area: main
  • in suites: wheezy
  • size: 37,840 kB
  • sloc: cpp: 93,902; python: 51,897; java: 5,192; ansic: 3,497; xml: 2,499; sql: 1,641; yacc: 1,518; lex: 1,076; makefile: 325; fortran: 183; sh: 153; cs: 51

Folder: test_data

d .. (parent)
- - rwxr-xr-x 1,735 bond-query.cdxml
- - rwxr-xr-x 512 bond-query.mol
- - rwxr-xr-x 512 bond-query2.mol
- - rwxr-xr-x 512 bond-query3.mol
- - rwxr-xr-x 512 bond-query4.mol
- - rwxr-xr-x 2,590 bond_types.cdxml
- - rwxr-xr-x 727 chain1.cdxml
- - rwxr-xr-x 727 chain2.cdxml
- - rwxr-xr-x 727 chain3.cdxml
- - rwxr-xr-x 732 chain4.cdxml
- - rwxr-xr-x 1,080 do_smiles.bomb.py
- - rwxr-xr-x 719 do_smiles.py
- - rwxr-xr-x 299 easy_smiles.txt
- - rw-r--r-- 1,816 issue2983794.sdf
- - rwxr-xr-x 2,132 list-query.cdxml
- - rwxr-xr-x 672 list-query.mol
- - rwxr-xr-x 543 mol1.mol
- - rwxr-xr-x 15,774 ntp_smiles.txt
- - rwxr-xr-x 2,132 query.cdxml
- - rwxr-xr-x 649 query2.mol
- - rwxr-xr-x 762 ring1.cdxml
- - rwxr-xr-x 762 ring2.cdxml
- - rwxr-xr-x 984 ring3.cdxml
- - rwxr-xr-x 202,650 rtecs_smiles.5000.txt
- - rwxr-xr-x 16,414 rtecs_smiles.txt