Mercurial > repos > chemteam > qiskit_xyz2pdb
diff test-data/RHYYKFNSTGRHYHYY_trace.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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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/RHYYKFNSTGRHYHYY_trace.pdb Wed Jun 05 20:06:27 2024 +0000 @@ -0,0 +1,19 @@ +COMPND My Protein Sequence +AUTHOR Galaxy User +ATOM 1 CA ARG 1 0.000 0.000 0.000 1.00 0.00 R +ATOM 2 CA HIS 2 2.194 2.194 -2.194 1.00 0.00 H +ATOM 3 CA TYR 3 4.388 0.000 -4.388 1.00 0.00 Y +ATOM 4 CA TYR 4 2.194 -2.194 -6.582 1.00 0.00 Y +ATOM 5 CA LYS 5 0.000 -4.388 -4.388 1.00 0.00 K +ATOM 6 CA PHE 6 2.194 -2.194 -6.582 1.00 0.00 F +ATOM 7 CA ASN 7 4.388 0.000 -4.388 1.00 0.00 N +ATOM 8 CA SER 8 2.194 2.194 -2.194 1.00 0.00 S +ATOM 9 CA THR 9 0.000 4.388 -4.388 1.00 0.00 T +ATOM 10 CA GLY 10 -2.194 6.582 -2.194 1.00 0.00 G +ATOM 11 CA ARG 11 -4.388 4.388 -0.000 1.00 0.00 R +ATOM 12 CA HIS 12 -2.194 2.194 2.194 1.00 0.00 H +ATOM 13 CA TYR 13 0.000 0.000 -0.000 1.00 0.00 Y +ATOM 14 CA HIS 14 2.194 2.194 -2.194 1.00 0.00 H +ATOM 15 CA TYR 15 4.388 0.000 -4.388 1.00 0.00 Y +ATOM 16 CA TYR 16 2.194 2.194 -2.194 1.00 0.00 Y +END \ No newline at end of file