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view test-data/water.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    water
COMPND
SOURCE
HETATM    1  H   HOH     1       9.626   6.787  12.673
HETATM    2  H   HOH     1       9.626   8.420  12.673
HETATM    3  O   HOH     1      10.203   7.604  12.673
CONECT    1    3
CONECT    2    3
CONECT    3    1    2
END