Mercurial > repos > chemteam > qiskit_xyz2pdb
view test-data/RHYYKFNSTGRHYHYY_hetatm.pdb @ 0:7372df4e8513 draft default tip
planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 02ff1748664d6b2729209b6bf1ef17ff81f6b290
| author | chemteam |
|---|---|
| date | Wed, 05 Jun 2024 20:06:27 +0000 |
| parents | |
| children |
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COMPND My Protein Sequence AUTHOR Galaxy User HETATM 1 R PEP 1 0.000 0.000 0.000 1.00 0.00 R HETATM 2 H PEP 2 2.194 2.194 -2.194 1.00 0.00 H HETATM 3 Y PEP 3 4.388 0.000 -4.388 1.00 0.00 Y HETATM 4 Y PEP 4 2.194 -2.194 -6.582 1.00 0.00 Y HETATM 5 K PEP 5 0.000 -4.388 -4.388 1.00 0.00 K HETATM 6 F PEP 6 2.194 -2.194 -6.582 1.00 0.00 F HETATM 7 N PEP 7 4.388 0.000 -4.388 1.00 0.00 N HETATM 8 S PEP 8 2.194 2.194 -2.194 1.00 0.00 S HETATM 9 T PEP 9 0.000 4.388 -4.388 1.00 0.00 T HETATM 10 G PEP 10 -2.194 6.582 -2.194 1.00 0.00 G HETATM 11 R PEP 11 -4.388 4.388 -0.000 1.00 0.00 R HETATM 12 H PEP 12 -2.194 2.194 2.194 1.00 0.00 H HETATM 13 Y PEP 13 0.000 0.000 -0.000 1.00 0.00 Y HETATM 14 H PEP 14 2.194 2.194 -2.194 1.00 0.00 H HETATM 15 Y PEP 15 4.388 0.000 -4.388 1.00 0.00 Y HETATM 16 Y PEP 16 2.194 2.194 -2.194 1.00 0.00 Y CONECT 1 2 0 0 0 CONECT 2 3 0 0 0 CONECT 3 4 0 0 0 CONECT 4 5 0 0 0 CONECT 5 6 0 0 0 CONECT 6 7 0 0 0 CONECT 7 8 0 0 0 CONECT 8 9 0 0 0 CONECT 9 10 0 0 0 CONECT 10 11 0 0 0 CONECT 11 12 0 0 0 CONECT 12 13 0 0 0 CONECT 13 14 0 0 0 CONECT 14 15 0 0 0 CONECT 15 16 0 0 0 MASTER 0 0 0 0 0 0 0 0 16 0 16 0 END