MolTranscode/docs/custom-modifications.schema.json at main · PerinMu/MolTranscode · GitHub

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{
  "$schema": "https://json-schema.org/draft/2020-12/schema",
  "$id": "https://github.com/PerinMu/MolTranscode/blob/main/docs/custom-modifications.schema.json",
  "title": "MolTranscode custom modification registry",
  "type": "object",
  "additionalProperties": false,
  "properties": {
    "schema_version": {
      "const": 1,
      "default": 1
    },
    "override": {
      "type": "boolean",
      "default": false
    },
    "side_chain_modifications": {
      "type": "array",
      "items": {
        "$ref": "#/$defs/sideChain"
      }
    },
    "n_terminal_modifications": {
      "type": "array",
      "items": {
        "$ref": "#/$defs/nTerminus"
      }
    },
    "c_terminal_modifications": {
      "type": "array",
      "items": {
        "$ref": "#/$defs/cTerminus"
      }
    }
  },
  "$defs": {
    "aliases": {
      "type": "array",
      "items": {
        "type": "string",
        "minLength": 1
      },
      "uniqueItems": true
    },
    "sideChain": {
      "type": "object",
      "additionalProperties": false,
      "required": ["name", "residue", "side_chain_smiles"],
      "properties": {
        "name": {"type": "string", "minLength": 1},
        "residue": {"type": "string", "pattern": "^[ARNDCQEGHILKMFPSTWYVarndcqeghilkmfpstwyv]$"},
        "side_chain_smiles": {"type": "string", "minLength": 1},
        "d_side_chain_smiles": {"type": "string", "minLength": 1},
        "aliases": {"$ref": "#/$defs/aliases"},
        "description": {"type": "string"}
      }
    },
    "nTerminus": {
      "type": "object",
      "additionalProperties": false,
      "required": ["name", "prefix_smiles"],
      "properties": {
        "name": {"type": "string", "minLength": 1},
        "prefix_smiles": {"type": "string", "minLength": 1},
        "aliases": {"$ref": "#/$defs/aliases"},
        "description": {"type": "string"}
      }
    },
    "cTerminus": {
      "type": "object",
      "additionalProperties": false,
      "required": ["name", "terminus_smiles"],
      "properties": {
        "name": {"type": "string", "minLength": 1},
        "terminus_smiles": {"type": "string", "minLength": 1},
        "aliases": {"$ref": "#/$defs/aliases"},
        "description": {"type": "string"}
      }
    }
  }
}