REST Sent structure details

User 3d3f3767a2

11-07-2013 18:19:05

Hi there,


I'm trying to use the "Details of Sent Structure" tool (http://restdemo.chemaxon.com/#postdetails) to get some details for a compound.


However, when I try to pass in the fields I want to grab, it doesn't work. Even in the REST demo on your site, say I add "formula" as a field to include, the formula isn't returned. I've also tried "cd_formula" to no avail. For example:


{
"structures": [
{"structure": "CCCCCC"}
],
"display": {
"include": ["structureData", "image", "formula"],
"parameters": {
"structureData": "cdx",
"image": {"width": 100}
}
}
}


Doesn't return a formula in the results. Is there some other way I am supposed to pass in fields?


Thanks,
Craig 

ChemAxon 13811e1703

11-07-2013 19:32:32

Hi Craig!


Actually it is undocumented, the includable fields can be listed on this url:
http://restdemo.chemaxon.com/rest-v0/util/headers/detail />
On the demo site there is a preview of the 6.1.0 web services, and the documentation has more details of the calculators. The formula can be retrieved from the "Elemental Analysis" calculator:
http://restdemo.chemaxon.com/#elemental


A correct request for you would be like:


 {
    "structures": [
        {"structure": "CCCCCC"}
    ],
    "display":  {
    "include": ["elementalAnalysis"],
            "parameters": {
                "elementalAnalysis": {
        "single": true,
    "symbolID": true
    }
        }
    }
}

Regards,
Peter