Mercurial > repos > chemteam > packmol

comparison test-data/urea.pdb @ 0:9a9768ad0f81 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem commit 11519cd4ef5f8ac5864cdc8b3e93ff30115f2e27
author chemteam
date Mon, 08 Oct 2018 05:31:09 -0400
parents
children
comparison
equal deleted inserted replaced
-1:000000000000 0:9a9768ad0f81
1 HEADER
2 HETATM 1 C 2 2 0.000 0.000 1.400
3 HETATM 2 N 2 2 -1.256 0.000 2.125
4 HETATM 3 O 2 2 0.000 0.000 0.000
5 HETATM 4 N 2 2 1.256 0.000 2.125
6 HETATM 5 H 2 2 1.072 0.000 3.116
7 HETATM 6 H 2 2 2.252 0.000 1.968
8 HETATM 7 H 2 2 -1.072 0.000 3.116
9 HETATM 8 H 2 2 -2.252 0.000 1.968