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annotate test-data/CID_2244_FP3.fps @ 1:ea40d1b2f4b6 draft default tip

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planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 63d8775d73dd16e3ee8836ea8c06c81801e87c71
author bgruening
date Mon, 28 Nov 2016 02:07:02 -0500
parents 2c5a1471f7cf
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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2c5a1471f7cf planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 4a60df09ddf9dfcedad80f7b72a927198da2f755
bgruening
parents:
diff changeset
1 #FPS1
2c5a1471f7cf planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 4a60df09ddf9dfcedad80f7b72a927198da2f755
bgruening
parents:
diff changeset
2 #num_bits=55
2c5a1471f7cf planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 4a60df09ddf9dfcedad80f7b72a927198da2f755
bgruening
parents:
diff changeset
3 #type=OpenBabel-FP3/1
2c5a1471f7cf planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 4a60df09ddf9dfcedad80f7b72a927198da2f755
bgruening
parents:
diff changeset
4 #software=OpenBabel/2.3.1
2c5a1471f7cf planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 4a60df09ddf9dfcedad80f7b72a927198da2f755
bgruening
parents:
diff changeset
5 #source=CID_2244.sdf
2c5a1471f7cf planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 4a60df09ddf9dfcedad80f7b72a927198da2f755
bgruening
parents:
diff changeset
6 #date=2012-05-15T16:59:15
2c5a1471f7cf planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/openbabel commit 4a60df09ddf9dfcedad80f7b72a927198da2f755
bgruening
parents:
diff changeset
7 0400000c50b007 2244