Mercurial > repos > bgruening > _obgrep
comparison test-data/CID_2244_FP2.fps @ 0:8d51a2cee5c0 draft default tip
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 01da22e4184a5a6f6a3dd4631a7b9c31d1b6d502
| author | bgruening |
|---|---|
| date | Sat, 20 May 2017 08:38:55 -0400 |
| parents | |
| children |
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| -1:000000000000 | 0:8d51a2cee5c0 |
|---|---|
| 1 #FPS1 | |
| 2 #num_bits=1021 | |
| 3 #type=OpenBabel-FP2/1 | |
| 4 #software=OpenBabel/2.3.1 | |
| 5 #source=CID_2244.sdf | |
| 6 #date=2012-05-15T16:40:38 | |
| 7 00000010004000c00000020000030000010000000008000000000080000000000400400000000010200a020800000000000042000000000000800002000002000c200800010001010000000002808002208000400000000040080000000100000008000000000002004002000010000000020100080100200808000000000004 2244 |