Mercurial > repos > chemteam > packmol
view test-data/water.pdb @ 1:ddb1ae2cf028 draft
"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit b1b74e91a242f2de250761a79b17d77e68b1045f"
author | chemteam |
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date | Fri, 30 Aug 2019 15:02:54 -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