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view test-data/urea.pdb @ 2:539fb45630e6 draft default tip

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"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