Mercurial > repos > chemteam > packmol
view test-data/urea.pdb @ 2:539fb45630e6 draft default tip
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
author | chemteam |
---|---|
date | Mon, 07 Oct 2019 12:46:54 -0400 |
parents | 0b8a0ce446f5 |
children |
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HEADER HETATM 1 C 2 2 0.000 0.000 1.400 HETATM 2 N 2 2 -1.256 0.000 2.125 HETATM 3 O 2 2 0.000 0.000 0.000 HETATM 4 N 2 2 1.256 0.000 2.125 HETATM 5 H 2 2 1.072 0.000 3.116 HETATM 6 H 2 2 2.252 0.000 1.968 HETATM 7 H 2 2 -1.072 0.000 3.116 HETATM 8 H 2 2 -2.252 0.000 1.968