User 762d73597f
16-12-2013 21:22:01
Can someone provide guidance for creating JSON query input for REST webservices that run the pKa calculator? I want to generate pKa values without pulling them from the database (as in this example;chemaxon.com/#postdetails). This example shows pKa values (https://restdemo.chemaxon.com/#pka) but is pulling the chemical from the database and then running the calculator and providing way too much detail. Help would be appreciated.
ChemAxon e07e2a364b
16-12-2013 21:46:46
Do you want to submit the molecule and get back the array of the pKa values? In this case the molecule(s) can be posted to the "/rest-v0/util/detail" url on your WS server in the following JSON message:
{ "structures":
[{"structure": "aspirin"}],
"display": {"include": ["structureData"],
"additionalFields": {"pka": "chemicalTerms(pka)"},
"parameters": {"structureData": "smiles"}
}
}
See more info here: https://restdemo.chemaxon.com/#postdetails and
User 762d73597f
16-12-2013 22:30:06
| gguta wrote: |
Do you want to submit the molecule and get back the array of the pKa values? In this case the molecule(s) can be posted to the "/rest-v0/util/detail" url on your WS server in the following JSON message: { "structures": [{"structure": "aspirin"}], "display": {"include": ["structureData"], "additionalFields": {"pka": "chemicalTerms(pka)"}, "parameters": {"structureData": "smiles"} } }
Appreciate the help qquta, but you must be running something other than the server examples found here: https://restdemo.chemaxon.com/#pka. The example you provided does not run in either Chrome, IE or Firefox; I get a JSON format exception. Operator error on my part? Should I be able to copy/paste your JSON expression in the example and have it run when submitted? Or am I supposed to decorate/edit it in some fashion? See more info here: https://restdemo.chemaxon.com/#postdetails and |
ChemAxon e07e2a364b
17-12-2013 06:41:59
Hmmm, strange. I re-tested the example I wrote by overwriting the first "POST" example on the demo page and works fine for me. Copy the URL and the content from "{" to "}" into the URL field and POST request box, respectively. It should work, if not please let me know!