Mercurial > repos > chemteam > qiskit_xyz2pdb

annotate test-data/RHYYKFNSTGRHYHYY_trace.pdb @ 0:7372df4e8513 draft default tip

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planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 02ff1748664d6b2729209b6bf1ef17ff81f6b290
author chemteam
date Wed, 05 Jun 2024 20:06:27 +0000
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7372df4e8513 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 02ff1748664d6b2729209b6bf1ef17ff81f6b290
chemteam
parents:
diff changeset
1 COMPND My Protein Sequence
7372df4e8513 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 02ff1748664d6b2729209b6bf1ef17ff81f6b290
chemteam
parents:
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2 AUTHOR Galaxy User
7372df4e8513 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 02ff1748664d6b2729209b6bf1ef17ff81f6b290
chemteam
parents:
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3 ATOM 1 CA ARG 1 0.000 0.000 0.000 1.00 0.00 R
7372df4e8513 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 02ff1748664d6b2729209b6bf1ef17ff81f6b290
chemteam
parents:
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4 ATOM 2 CA HIS 2 2.194 2.194 -2.194 1.00 0.00 H
7372df4e8513 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 02ff1748664d6b2729209b6bf1ef17ff81f6b290
chemteam
parents:
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5 ATOM 3 CA TYR 3 4.388 0.000 -4.388 1.00 0.00 Y
7372df4e8513 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 02ff1748664d6b2729209b6bf1ef17ff81f6b290
chemteam
parents:
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6 ATOM 4 CA TYR 4 2.194 -2.194 -6.582 1.00 0.00 Y
7372df4e8513 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 02ff1748664d6b2729209b6bf1ef17ff81f6b290
chemteam
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7 ATOM 5 CA LYS 5 0.000 -4.388 -4.388 1.00 0.00 K
7372df4e8513 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 02ff1748664d6b2729209b6bf1ef17ff81f6b290
chemteam
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8 ATOM 6 CA PHE 6 2.194 -2.194 -6.582 1.00 0.00 F
7372df4e8513 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 02ff1748664d6b2729209b6bf1ef17ff81f6b290
chemteam
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9 ATOM 7 CA ASN 7 4.388 0.000 -4.388 1.00 0.00 N
7372df4e8513 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 02ff1748664d6b2729209b6bf1ef17ff81f6b290
chemteam
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10 ATOM 8 CA SER 8 2.194 2.194 -2.194 1.00 0.00 S
7372df4e8513 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 02ff1748664d6b2729209b6bf1ef17ff81f6b290
chemteam
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11 ATOM 9 CA THR 9 0.000 4.388 -4.388 1.00 0.00 T
7372df4e8513 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 02ff1748664d6b2729209b6bf1ef17ff81f6b290
chemteam
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12 ATOM 10 CA GLY 10 -2.194 6.582 -2.194 1.00 0.00 G
7372df4e8513 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 02ff1748664d6b2729209b6bf1ef17ff81f6b290
chemteam
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13 ATOM 11 CA ARG 11 -4.388 4.388 -0.000 1.00 0.00 R
7372df4e8513 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 02ff1748664d6b2729209b6bf1ef17ff81f6b290
chemteam
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14 ATOM 12 CA HIS 12 -2.194 2.194 2.194 1.00 0.00 H
7372df4e8513 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 02ff1748664d6b2729209b6bf1ef17ff81f6b290
chemteam
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15 ATOM 13 CA TYR 13 0.000 0.000 -0.000 1.00 0.00 Y
7372df4e8513 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 02ff1748664d6b2729209b6bf1ef17ff81f6b290
chemteam
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16 ATOM 14 CA HIS 14 2.194 2.194 -2.194 1.00 0.00 H
7372df4e8513 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 02ff1748664d6b2729209b6bf1ef17ff81f6b290
chemteam
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17 ATOM 15 CA TYR 15 4.388 0.000 -4.388 1.00 0.00 Y
7372df4e8513 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 02ff1748664d6b2729209b6bf1ef17ff81f6b290
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18 ATOM 16 CA TYR 16 2.194 2.194 -2.194 1.00 0.00 Y
7372df4e8513 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 02ff1748664d6b2729209b6bf1ef17ff81f6b290
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19 END