Mercurial > repos > bgruening > split_file_to_collection

annotate test-data/mol_1.sdf @ 4:b2ad7eb9bab7 draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
author bgruening
date Wed, 09 Oct 2019 07:34:19 -0400
parents 0cf37301f754
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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4
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
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diff changeset
1 2244
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
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2 OpenBabel09021316243D
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
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3
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
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4 21 21 0 0 0 0 0 0 0 0999 V2000
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
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5 1.2333 0.5540 0.7792 O 0 0 0 0 0 0 0 0 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
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6 -0.6952 -2.7148 -0.7502 O 0 0 0 0 0 0 0 0 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
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7 0.7958 -2.1843 0.8685 O 0 0 0 0 0 0 0 0 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
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8 1.7813 0.8105 -1.4821 O 0 0 0 0 0 0 0 0 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
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9 -0.0857 0.6088 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
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b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
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b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
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b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
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13 -2.0787 1.9238 0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
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b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
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15 -0.1409 -1.8536 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
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b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
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b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
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18 -0.1851 2.7545 0.6593 H 0 0 0 0 0 0 0 0 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
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19 -2.7247 -1.3605 -0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
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20 -2.5797 2.8872 0.0506 H 0 0 0 0 0 0 0 0 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
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21 -3.8374 0.8238 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
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b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
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23 4.2045 0.6969 -0.6924 H 0 0 0 0 0 0 0 0 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
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b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
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b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
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26 1 5 1 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
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27 1 12 1 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
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28 2 11 1 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
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29 2 21 1 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
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30 3 11 2 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
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31 4 12 2 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
32 5 6 1 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
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33 5 7 2 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
34 6 8 2 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
35 6 11 1 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
36 7 9 1 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
37 7 14 1 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
38 8 10 1 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
39 8 15 1 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
40 9 10 2 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
41 9 16 1 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
42 10 17 1 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
43 12 13 1 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
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44 13 18 1 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
45 13 19 1 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
46 13 20 1 0 0 0 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
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47 M END
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
48 > <PUBCHEM_COMPOUND_CID>
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
49 2244
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
50
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
51 > <PUBCHEM_CONFORMER_RMSD>
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
52 0.6
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
53
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
54 > <PUBCHEM_CONFORMER_DIVERSEORDER>
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
55 1
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
56 11
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
57 10
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
58 3
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
59 15
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
60 17
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
61 13
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
62 5
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
63 16
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
64 7
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
65 14
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
66 9
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
67 8
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
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b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
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b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
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b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
71 12
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
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b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
73
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
74 > <PUBCHEM_MMFF94_PARTIAL_CHARGES>
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
75 18
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
76 1 -0.23
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
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b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
78 11 0.63
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
79 12 0.66
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
80 13 0.06
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
81 14 0.15
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
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b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
83 16 0.15
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
84 17 0.15
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
85 2 -0.65
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
86 21 0.5
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
87 3 -0.57
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
88 4 -0.57
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
89 5 0.08
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
90 6 0.09
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
91 7 -0.15
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
92 8 -0.15
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
93 9 -0.15
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
94
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
95 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
96 3
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
97
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
98 > <PUBCHEM_PHARMACOPHORE_FEATURES>
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
99 5
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
100 1 2 acceptor
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
101 1 3 acceptor
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
102 1 4 acceptor
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
103 3 2 3 11 anion
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
104 6 5 6 7 8 9 10 rings
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
105
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
106 > <PUBCHEM_HEAVY_ATOM_COUNT>
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
107 13
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
108
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
109 > <PUBCHEM_ATOM_DEF_STEREO_COUNT>
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
110 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
111
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
112 > <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
113 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
114
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
115 > <PUBCHEM_BOND_DEF_STEREO_COUNT>
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
116 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
117
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
118 > <PUBCHEM_BOND_UDEF_STEREO_COUNT>
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
119 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
120
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
121 > <PUBCHEM_ISOTOPIC_ATOM_COUNT>
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
122 0
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
123
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
124 > <PUBCHEM_COMPONENT_COUNT>
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
125 1
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
126
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
127 > <PUBCHEM_CACTVS_TAUTO_COUNT>
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
128 1
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
129
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
130 > <PUBCHEM_CONFORMER_ID>
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
131 000008C400000001
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
132
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
133 > <PUBCHEM_COORDINATE_TYPE>
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
134 2
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
135 5
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
136 10
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
137
b2ad7eb9bab7 "planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 872590086696cfbc248519507ecb9063926297ad"
bgruening
parents: 2
diff changeset
138 $$$$