医疗智能体 EIHEALTH-创建分子对接作业:请求示例

时间:2024-12-13 16:14:11

请求示例

创建分子对接作业,作业名称为demo-job, 受体文件为project:/dir/file,口袋中心位置的值为[0,0,0],口袋尺寸大小为[10,10,10],去除受体的水分子。

https://{endpoint}/v1/{project_id}/eihealth-projects/{eihealth_project_id}/drug-jobs/docking

{
  "basic_info" : {
    "name" : "demo-job",
    "labels" : [ "labelA" ]
  },
  "receptors" : [ {
    "receptor" : {
      "source" : "PRIVATE",
      "url" : "project:/dir/file"
    },
    "bounding_box" : {
      "center" : [ 0, 0, 0 ],
      "size" : [ 10, 10, 10 ]
    },
    "remove_water" : true,
    "remove_ion" : false,
    "remove_ligand" : false
  } ],
  "ligands" : [ {
    "ligand" : {
      "source" : "PRIVATE",
      "url" : "project:/dir/file"
    },
    "count" : 100
  } ]
}
support.huaweicloud.com/api-eihealth/CreateDockingJob.html