Mercurial > repos > bgruening > openbabel_obgrep
annotate test-data/CID_2244_FP4.fps @ 12:2912ebf12ef2 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 1fe240ef0064a1a4a66d9be1ccace53824280b75"
author | bgruening |
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date | Mon, 19 Oct 2020 14:46:16 +0000 |
parents | b0311f002a5f |
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b0311f002a5f
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 8350bb3a632722c33bc91ec5238d47a536903729
bgruening
parents:
diff
changeset
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1 #FPS1 |
b0311f002a5f
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 8350bb3a632722c33bc91ec5238d47a536903729
bgruening
parents:
diff
changeset
|
2 #num_bits=307 |
b0311f002a5f
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 8350bb3a632722c33bc91ec5238d47a536903729
bgruening
parents:
diff
changeset
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3 #type=OpenBabel-FP4/1 |
b0311f002a5f
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 8350bb3a632722c33bc91ec5238d47a536903729
bgruening
parents:
diff
changeset
|
4 #software=OpenBabel/2.3.1 |
b0311f002a5f
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 8350bb3a632722c33bc91ec5238d47a536903729
bgruening
parents:
diff
changeset
|
5 #source=CID_2244.sdf |
b0311f002a5f
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 8350bb3a632722c33bc91ec5238d47a536903729
bgruening
parents:
diff
changeset
|
6 #date=2012-05-15T16:59:22 |
b0311f002a5f
planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 8350bb3a632722c33bc91ec5238d47a536903729
bgruening
parents:
diff
changeset
|
7 010000000000000000009800000000004001000000000000000000000000000000000240402801 2244 |