File size: 2,574 Bytes
98bde72 | 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 | {
"$defs": {
"Modification": {
"additionalProperties": false,
"properties": {
"position": {
"minimum": 1,
"title": "Position",
"type": "integer"
},
"residue": {
"maxLength": 1,
"minLength": 1,
"title": "Residue",
"type": "string"
},
"ccd": {
"minLength": 1,
"title": "Ccd",
"type": "string"
}
},
"required": [
"position",
"residue",
"ccd"
],
"title": "Modification",
"type": "object"
},
"Molecule": {
"additionalProperties": false,
"properties": {
"sequence": {
"title": "Sequence",
"type": "string"
},
"modifications": {
"items": {
"$ref": "#/$defs/Modification"
},
"title": "Modifications",
"type": "array"
},
"bonds": {
"items": {
"maxItems": 4,
"minItems": 4,
"prefixItems": [
{
"type": "integer"
},
{
"type": "string"
},
{
"type": "integer"
},
{
"type": "string"
}
],
"type": "array"
},
"title": "Bonds",
"type": "array"
},
"n_terminus": {
"default": "free",
"title": "N Terminus",
"type": "string"
},
"c_terminus": {
"default": "free",
"title": "C Terminus",
"type": "string"
},
"smiles": {
"anyOf": [
{
"type": "string"
},
{
"type": "null"
}
],
"default": null,
"title": "Smiles"
}
},
"required": [
"sequence"
],
"title": "Molecule",
"type": "object"
}
},
"additionalProperties": false,
"properties": {
"molecule": {
"$ref": "#/$defs/Molecule"
},
"parent_ids": {
"items": {
"type": "string"
},
"title": "Parent Ids",
"type": "array"
},
"generator": {
"title": "Generator",
"type": "string"
},
"revision": {
"title": "Revision",
"type": "string"
}
},
"required": [
"molecule",
"generator",
"revision"
],
"title": "Candidate",
"type": "object"
} |