Mercurial > repos > bgruening > openbabel_structure_distance_finder
annotate test-data/CID_2244_maccs.fps @ 0:c066b5accacf draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
author | bgruening |
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date | Wed, 25 Mar 2020 16:47:13 -0400 |
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0
c066b5accacf
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
bgruening
parents:
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1 #FPS1 |
c066b5accacf
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
bgruening
parents:
diff
changeset
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2 #num_bits=166 |
c066b5accacf
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
bgruening
parents:
diff
changeset
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3 #type=OpenBabel-MACCS/2 |
c066b5accacf
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
bgruening
parents:
diff
changeset
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4 #software=OpenBabel/2.3.1 |
c066b5accacf
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
bgruening
parents:
diff
changeset
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5 #source=CID_2244.sdf |
c066b5accacf
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
bgruening
parents:
diff
changeset
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6 #date=2012-05-15T17:00:39 |
c066b5accacf
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 6c84abdd07f292048bf2194073e2e938e94158c4"
bgruening
parents:
diff
changeset
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7 0000000000000000000000010000016480cca2d21e 2244 |