Mercurial > repos > bgruening > rdock_rbdock

comparison test-data/select_points_output_v3000.sdf @ 8:a22969b08177 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/rdock commit dff183f4eb2d3df42917ec4fed0fbdb2ea11e19a"
author bgruening
date Thu, 21 May 2020 10:54:15 -0400
parents 309fd04bcfd2
children
comparison
equal deleted inserted replaced
7:309fd04bcfd2 8:a22969b08177
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