annotate test-data/LigA_output.mol2 @ 6:2417677038b2 draft

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3c440a43396b4d815ef35f45ed562e22bf37c028"
author chemteam
date Tue, 16 Feb 2021 21:55:56 +0000
parents 2e202f6c3034
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2e202f6c3034 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f1620d2eb7fd3ea43bb4dfe6cee5b45015fd13a3
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1 @<TRIPOS>MOLECULE
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2 MOL
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8 @<TRIPOS>ATOM
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33 @<TRIPOS>BOND
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58 @<TRIPOS>SUBSTRUCTURE
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59 1 MOL 1 TEMP 0 **** **** 0 ROOT