Mercurial > repos > bgruening > split_file_to_collection
annotate test-data/mol_0.sdf @ 4:0850f2dfba13 draft
"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 07:34:49 -0400 |
| parents | d150ac3d853d |
| children |
| rev | line source |
|---|---|
|
2
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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4 21 21 0 0 0 0 0 0 0 0999 V2000 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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5 1.2333 0.5540 0.7792 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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6 -0.6952 -2.7148 -0.7502 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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7 0.7958 -2.1843 0.8685 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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8 1.7813 0.8105 -1.4821 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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9 -0.0857 0.6088 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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10 -0.7927 -0.5515 0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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11 -0.7288 1.8464 0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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12 -2.1426 -0.4741 -0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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13 -2.0787 1.9238 0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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14 -2.7855 0.7636 -0.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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15 -0.1409 -1.8536 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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16 2.1094 0.6715 -0.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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17 3.5305 0.5996 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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18 -0.1851 2.7545 0.6593 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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19 -2.7247 -1.3605 -0.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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20 -2.5797 2.8872 0.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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21 -3.8374 0.8238 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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22 3.7290 1.4184 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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23 4.2045 0.6969 -0.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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24 3.7105 -0.3659 0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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25 -0.2555 -3.5916 -0.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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35 6 11 1 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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36 7 9 1 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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39 8 15 1 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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40 9 10 2 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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41 9 16 1 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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42 10 17 1 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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43 12 13 1 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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44 13 18 1 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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45 13 19 1 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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46 13 20 1 0 0 0 0 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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47 M END |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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48 > <PUBCHEM_COMPOUND_CID> |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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49 2244 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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51 > <PUBCHEM_CONFORMER_RMSD> |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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52 0.6 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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54 > <PUBCHEM_CONFORMER_DIVERSEORDER> |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
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73 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
74 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
75 18 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
76 1 -0.23 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
77 10 -0.15 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
78 11 0.63 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
79 12 0.66 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
80 13 0.06 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
81 14 0.15 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
82 15 0.15 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
83 16 0.15 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
84 17 0.15 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
85 2 -0.65 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
86 21 0.5 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
87 3 -0.57 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
88 4 -0.57 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
89 5 0.08 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
90 6 0.09 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
91 7 -0.15 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
92 8 -0.15 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
93 9 -0.15 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
94 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
95 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
96 3 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
97 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
98 > <PUBCHEM_CONFORMER_ID> |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
99 000008C400000001 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
100 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
101 > <PUBCHEM_MMFF94_ENERGY> |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
102 39.5952 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
103 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
104 > <PUBCHEM_FEATURE_SELFOVERLAP> |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
105 25.432 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
106 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
107 > <PUBCHEM_SHAPE_FINGERPRINT> |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
108 1 1 18265615372930943622 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
109 100427 49 16967750034970055351 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
110 12138202 97 18271247217817981012 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
111 12423570 1 16692715976000295083 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
112 12524768 44 16753525617747228747 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
113 12716758 59 18341332292274886536 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
114 13024252 1 17968377969333732145 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
115 14181834 199 17830728755827362645 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
116 14614273 12 18262232214645093005 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
117 15207287 21 17703787037639964108 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
118 15775835 57 18340488876329928641 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
119 16945 1 18271533103414939405 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
120 193761 8 17907860604865584321 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
121 20645476 183 17677348215414174190 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
122 20871998 184 18198632231250704846 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
123 21040471 1 18411412921197846465 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
124 21501502 16 18123463883164380929 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
125 23402539 116 18271795865171824860 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
126 23419403 2 13539898140662769886 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
127 23552423 10 18048876295495619569 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
128 23559900 14 18272369794190581304 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
129 241688 4 16179044415907240795 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
130 257057 1 17478316999871287486 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
131 2748010 2 18339085878070479087 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
132 305870 269 18263645056784260212 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
133 528862 383 18117272558388284091 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
134 53812653 8 18410289211719108569 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
135 7364860 26 17910392788380644719 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
136 81228 2 18050568744116491203 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
137 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
138 > <PUBCHEM_SHAPE_MULTIPOLES> |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
139 244.06 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
140 3.86 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
141 2.45 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
142 0.89 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
143 1.95 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
144 1.58 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
145 0.15 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
146 -1.85 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
147 0.38 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
148 -0.61 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
149 -0.02 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
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150 0.29 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
151 0.01 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
152 -0.33 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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|
153 |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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154 > <PUBCHEM_SHAPE_SELFOVERLAP> |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
155 513.037 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
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|
156 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
157 > <PUBCHEM_SHAPE_VOLUME> |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
158 136 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
159 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
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160 > <PUBCHEM_COORDINATE_TYPE> |
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d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
161 2 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
162 5 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
163 10 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
diff
changeset
|
164 |
|
d150ac3d853d
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/text_processing/split_file_to_collection commit 06ffe450bafa280eee8a4331c9cfc9e1ece7c522"
bgruening
parents:
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|
165 $$$$ |