importStructure Function with smiles

Hi, 

 

i used your example to set a molecule : 

 

<script>
	var marvinSketcherInstance;
	$(document).ready(function handleDocumentReady (e) {
	MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) {
	marvinSketcherInstance = sketcherInstance;
	marvinSketcherInstance.importStructure("mol", s).catch(function(error) {
	alert(error);
	});
	initControls();
	},function (error) {
	alert("Cannot retrieve sketcher instance from iframe:"+error);
	});
	});
	function initControls () {
	// Reset mol button
	$("#btn-setmol").on("click", function (e) {
	marvinSketcherInstance.importStructure("mol",s);
	});
	}
	var s = "\n\n\n"+
	" 14 15 0 0 0 0 0 0 0 0999 V2000\n"+
	" 0.5089 7.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"+
	" 1.2234 6.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"+
	" 1.2234 7.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"+
	" -0.2055 6.5941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"+
	" -0.9200 7.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"+
	" 0.5089 5.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"+
	" -0.2055 7.4191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n"+
	" 0.5089 6.1816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n"+
	" -0.9200 6.1816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n"+
	" 0.5089 8.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0\n"+
	" 2.4929 7.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"+
	" 2.0080 7.6740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n"+
	" 2.0080 6.3391 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0\n"+
	" 2.2630 8.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0\n"+
	" 1 7 1 0 0 0 0\n"+
	" 8 2 1 0 0 0 0\n"+
	" 1 3 1 0 0 0 0\n"+
	" 2 3 2 0 0 0 0\n"+
	" 7 4 1 0 0 0 0\n"+
	" 4 8 1 0 0 0 0\n"+
	" 4 9 2 0 0 0 0\n"+
	" 7 5 1 0 0 0 0\n"+
	" 8 6 1 0 0 0 0\n"+
	" 1 10 2 0 0 0 0\n"+
	" 3 12 1 0 0 0 0\n"+
	" 2 13 1 0 0 0 0\n"+
	" 13 11 2 0 0 0 0\n"+
	" 12 11 1 0 0 0 0\n"+
	" 12 14 1 0 0 0 0\n"+
	"M END\n";
	</script>   but i would like to replace mol by smiles and it doesn't work :   <script>   var marvinSketcherInstance;   $(document).ready(function handleDocumentReady (e) { MarvinJSUtil.getEditor("#sketch").then(function (sketcherInstance) { marvinSketcherInstance = sketcherInstance; marvinSketcherInstance.importStructure("smiles", s).catch(function(error) { alert(error); }); initControls(); },function (error) { alert("Cannot retrieve sketcher instance from iframe:"+error); }); });   function initControls () {   // Reset mol button $("#btn-setmol").on("click", function (e) { marvinSketcherInstance.importStructure("smiles",s); }); }   var s = "CC(=O)Oc1ccccc1C(O)=O";   </script>   why?   Kiet

Hi Kiet,

I have tested your code in our environment, and it worked for me.

For SMILES import-export Marvin JS needs web service connection. Please check, whether the web service is available for the application:

* Please check if the location of the web service was set for Marvin JS. (If not, there is an example, how to set/reset it:  https://marvinjs-snapshot.chemaxon.com/marvin4js-stable-latest-snapshot/examples/example-customize-service.html)

* Please check also the network traffic of your browser. 

Please let us know your findings.

Any information would help to find a solution for this problem. 

Best regards,
Eszter

hi Eszter,

no web services connection set, so that's why it doesn't work

Thank you for your reply.

Do you need any assistance from our side? 

No tried yet but it looks very hard to integrate Marvinjs compared to marvinsketch and Marvin view...

It is different, but we hope it worth the effort.

Best regards,

Efi

Hi,

 

i'm trying to install webservices release 14.11.170.0 and i have few questions : 

 

1- why jdk-6u45 is required? could we install jdk 7?

2- in the installation guide, a license.cxl is noted. Which plugin license do I need?

I have already a license.cxl containing Jchem cartridge, marvin server, calculator plugins license. Is it enough for webservices use?

 

best 

 

Kiet

Hi Kiet,


 1. You can use also jdk 7 for that version. (Although I recommend using the latest version, and please note that since version 16.2.29.0  only Java 8 is supported! https://restdemo.chemaxon.com/docs/installationguide.md)

2. You can use JChem Web Services with the MarvinJS license, if you need only the functionality that is supported by MarvinJs. I suppose that is enough for you.

(For full functionality you would need JChem Web Services license and optionally separate licenses for doing some special calculations like structure2name or standardization, etc., https://restdemo.chemaxon.com/apidocs/)


Regards,
Peter