Changes
On September 26, 2019 at 8:55:22 AM +1000,
uploader:
-
Changed title to Beta-hairpin peptide GB1 (previously (PDB: Sauce) with GROMOS 54A7 in AMBER (replicate 3))
-
Updated description of Beta-hairpin peptide GB1 to
Beta-hairpin peptide GB1 with GROMOS 54A7 in AMBER (replicate 3 of 3).
-
Added the following tags to Beta-hairpin peptide GB1
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| 3 | "author_email": null, | 3 | "author_email": null, | ||
| 4 | "creator_user_id": "26e9b37a-a639-46f2-9a41-f9295eef2db8", | 4 | "creator_user_id": "26e9b37a-a639-46f2-9a41-f9295eef2db8", | ||
| 5 | "extras": [ | 5 | "extras": [ | ||
| 6 | { | 6 | { | ||
| 7 | "key": "num_atoms", | 7 | "key": "num_atoms", | ||
| 8 | "value": "13905" | 8 | "value": "13905" | ||
| 9 | }, | 9 | }, | ||
| 10 | { | 10 | { | ||
| 11 | "key": "pressure", | 11 | "key": "pressure", | ||
| 12 | "value": "1.0" | 12 | "value": "1.0" | ||
| 13 | }, | 13 | }, | ||
| 14 | { | 14 | { | ||
| 15 | "key": "runtime", | 15 | "key": "runtime", | ||
| 16 | "value": "5.0" | 16 | "value": "5.0" | ||
| 17 | }, | 17 | }, | ||
| 18 | { | 18 | { | ||
| 19 | "key": "simulation_time", | 19 | "key": "simulation_time", | ||
| 20 | "value": "50.0" | 20 | "value": "50.0" | ||
| 21 | }, | 21 | }, | ||
| 22 | { | 22 | { | ||
| 23 | "key": "temperature", | 23 | "key": "temperature", | ||
| 24 | "value": "298.15" | 24 | "value": "298.15" | ||
| 25 | } | 25 | } | ||
| 26 | ], | 26 | ], | ||
| 27 | "groups": [], | 27 | "groups": [], | ||
| 28 | "id": "a2c269a8-117a-40ee-b409-e2564ca8ff0d", | 28 | "id": "a2c269a8-117a-40ee-b409-e2564ca8ff0d", | ||
| 29 | "isopen": false, | 29 | "isopen": false, | ||
| 30 | "license_id": null, | 30 | "license_id": null, | ||
| 31 | "license_title": null, | 31 | "license_title": null, | ||
| 32 | "maintainer": null, | 32 | "maintainer": null, | ||
| 33 | "maintainer_email": null, | 33 | "maintainer_email": null, | ||
| 34 | "metadata_created": "2019-06-27T06:49:48.563600", | 34 | "metadata_created": "2019-06-27T06:49:48.563600", | ||
| n | 35 | "metadata_modified": "2019-06-27T06:49:48.995891", | n | 35 | "metadata_modified": "2019-09-25T22:55:21.691410", |
| 36 | "name": "gb1_54a7_298k_amber_rep_3", | 36 | "name": "gb1_54a7_298k_amber_rep_3", | ||
| n | 37 | "notes": null, | n | 37 | "notes": "Beta-hairpin peptide GB1 with GROMOS 54A7 in AMBER |
| 38 | (replicate 3 of 3).", | ||||
| 38 | "num_resources": 63, | 39 | "num_resources": 63, | ||
| n | 39 | "num_tags": 12, | n | 40 | "num_tags": 16, |
| 40 | "organization": { | 41 | "organization": { | ||
| 41 | "approval_status": "approved", | 42 | "approval_status": "approved", | ||
| 42 | "created": "2018-08-22T23:34:31.662568", | 43 | "created": "2018-08-22T23:34:31.662568", | ||
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| 46 | "is_organization": true, | 47 | "is_organization": true, | ||
| 47 | "name": "mduq", | 48 | "name": "mduq", | ||
| 48 | "state": "active", | 49 | "state": "active", | ||
| 49 | "title": "Molecular Dynamics Group UQ", | 50 | "title": "Molecular Dynamics Group UQ", | ||
| 50 | "type": "organization" | 51 | "type": "organization" | ||
| 51 | }, | 52 | }, | ||
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| 53 | "private": false, | 54 | "private": false, | ||
| 54 | "relationships_as_object": [], | 55 | "relationships_as_object": [], | ||
| 55 | "relationships_as_subject": [], | 56 | "relationships_as_subject": [], | ||
| 56 | "resources": [ | 57 | "resources": [ | ||
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| 73 | "private": "False", | ||||
| 74 | "resource_type": "control", | ||||
| 75 | "run": 1, | ||||
| 76 | "size": 2430, | ||||
| 77 | "state": "active", | ||||
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| 97 | "private": "False", | ||||
| 98 | "resource_type": "trajectory", | ||||
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| 101 | "state": "active", | ||||
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| 73 | "private": "False", | 122 | "private": "False", | ||
| 74 | "resource_type": "input-coordinates", | 123 | "resource_type": "input-coordinates", | ||
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| 76 | "size": 1015222, | 125 | "size": 1015222, | ||
| 77 | "state": "active", | 126 | "state": "active", | ||
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| 1636 | { | 1637 | { | ||
| 1637 | "display_name": "barostat is Berendsen", | 1638 | "display_name": "barostat is Berendsen", | ||
| 1638 | "id": "20b3f9a5-946a-4481-8e7d-d6cfa4622b1c", | 1639 | "id": "20b3f9a5-946a-4481-8e7d-d6cfa4622b1c", | ||
| 1639 | "name": "barostat is Berendsen", | 1640 | "name": "barostat is Berendsen", | ||
| 1640 | "state": "active", | 1641 | "state": "active", | ||
| 1641 | "vocabulary_id": null | 1642 | "vocabulary_id": null | ||
| 1642 | }, | 1643 | }, | ||
| 1643 | { | 1644 | { | ||
| n | n | 1645 | "display_name": "peptide", | ||
| 1646 | "id": "1bc214c1-4d59-40bc-a8f0-edca1be6851c", | ||||
| 1647 | "name": "peptide", | ||||
| 1648 | "state": "active", | ||||
| 1649 | "vocabulary_id": null | ||||
| 1650 | }, | ||||
| 1651 | { | ||||
| 1652 | "display_name": "peptide-beta-hairpin peptide GB1", | ||||
| 1653 | "id": "7ca6d621-4b88-46f7-8269-5e266f392344", | ||||
| 1654 | "name": "peptide-beta-hairpin peptide GB1", | ||||
| 1655 | "state": "active", | ||||
| 1656 | "vocabulary_id": null | ||||
| 1657 | }, | ||||
| 1658 | { | ||||
| 1644 | "display_name": "protein", | 1659 | "display_name": "protein", | ||
| 1645 | "id": "7aeab497-ee89-4c9a-821e-6396bc635b18", | 1660 | "id": "7aeab497-ee89-4c9a-821e-6396bc635b18", | ||
| 1646 | "name": "protein", | 1661 | "name": "protein", | ||
| 1647 | "state": "active", | 1662 | "state": "active", | ||
| 1648 | "vocabulary_id": null | 1663 | "vocabulary_id": null | ||
| 1649 | }, | 1664 | }, | ||
| 1650 | { | 1665 | { | ||
| n | n | 1666 | "display_name": "replicate-1 of 3", | ||
| 1667 | "id": "c59d4a1c-f1a5-4323-b504-a146842ad1a1", | ||||
| 1668 | "name": "replicate-1 of 3", | ||||
| 1669 | "state": "active", | ||||
| 1670 | "vocabulary_id": null | ||||
| 1671 | }, | ||||
| 1672 | { | ||||
| 1673 | "display_name": "solvent-H2O", | ||||
| 1674 | "id": "a21b0566-4486-494c-b670-aad8031d7c4e", | ||||
| 1675 | "name": "solvent-H2O", | ||||
| 1676 | "state": "active", | ||||
| 1677 | "vocabulary_id": null | ||||
| 1678 | }, | ||||
| 1679 | { | ||||
| 1651 | "display_name": "thermostat is Berendsen", | 1680 | "display_name": "thermostat is Berendsen", | ||
| 1652 | "id": "4fb82905-f20b-444e-9ba9-93e5d793c273", | 1681 | "id": "4fb82905-f20b-444e-9ba9-93e5d793c273", | ||
| 1653 | "name": "thermostat is Berendsen", | 1682 | "name": "thermostat is Berendsen", | ||
| 1654 | "state": "active", | 1683 | "state": "active", | ||
| 1655 | "vocabulary_id": null | 1684 | "vocabulary_id": null | ||
| 1656 | } | 1685 | } | ||
| 1657 | ], | 1686 | ], | ||
| t | 1658 | "title": "(PDB: Sauce) with GROMOS 54A7 in AMBER (replicate 3)", | t | 1687 | "title": "Beta-hairpin peptide GB1", |
| 1659 | "type": "dataset", | 1688 | "type": "dataset", | ||
| 1660 | "url": null, | 1689 | "url": null, | ||
| 1661 | "version": null | 1690 | "version": null | ||
| 1662 | } | 1691 | } |