Mercurial > repos > bgruening > ctb_frankenstein_ligand
comparison test-data/select_points_output_v3000.sdf @ 1:8e214e52e461 draft
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit dff183f4eb2d3df42917ec4fed0fbdb2ea11e19a"
author | bgruening |
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date | Thu, 21 May 2020 10:55:41 -0400 |
parents | 7a4306d69801 |
children |
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0:7a4306d69801 | 1:8e214e52e461 |
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1 Frankenstein_ligand | 1 Frankenstein ligand |
2 Galaxy select_points_sdf tool | 2 00000000000000000000 3D |
3 | 3 Created in Galaxy |
4 43 0 0 0 0 0 0 0 0 0999 V2000 | 4 43 0 0 0 0 0 0 0 0 0999 V2000 |
5 9.8790 -5.4960 26.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 | 5 9.8790 -5.4960 26.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 |
6 7.1910 -5.0190 26.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 | 6 7.1910 -5.0190 26.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 |
7 8.4340 -3.4430 27.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 | 7 8.4340 -3.4430 27.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 |
8 8.4960 -3.4980 24.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 | 8 8.4960 -3.4980 24.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 |