Re: [Cdk-jchempaint] [Cdk-devel] Javascript JCP

[Nina J. <jel...@gm...>]

On 22 May 2017 at 15:00, John Mayfield <joh...@gm...> wrote:

> For a web front end -  there are other JS chemical editors out there
>> indeed.
>
>
> Ah... but a lot of them are pretty rubbish :-).
>

Very much agree ;)   [1]

My point is different - JCP as a java dependency for standalone application
is a valid use case - and it is better to be kept as such, without
introducing web service dependency.

(also agree that single object model is not necessary the right choice for
all use cases)


Regards,
Nina


[1] https://twitter.com/10705013/status/448160308042162177


> We were trying to find once recently at NextMove to handle reactions and
> basically with the exception of MarvinJS they were all terrible move agents
> to reactants etc add superfluous grouping.
>
> John
>
> On 22 May 2017 at 12:55, John Mayfield <joh...@gm...>
> wrote:
>
>> 2) Port (cross-compile? transpile?) JCP to Javascript
>>
>>
>> This would be my preference, but my understanding is with GWT etc would
>> essentially be a re-write. IIRC MarvinJS (https://www.chemaxon.com/prod
>> ucts/marvin/marvin-js/) is done using GWT but you'll notice it's very
>> different from their MarvinSketch applet.
>>
>> I think it's best to do a lighter weight model for the sketcher with the
>> "chemical intelligence" handled by WS as you suggest. I actually don't
>> think a sketcher should use the same object model (OM) at all. There are
>> lots of things useful to capture in a sketch which just doesn't make sense
>> to represent in data.
>>
>> After working with it a fair bit I feel ChemDraw have basically nailed
>> the OM required for sketching, it's not perfect but very close and captures
>> many intricacies.
>>
>> e.g. Character attach information allows you do the following:
>>
>>       OH
>>>       |
>>> -C(CH2CHO)-
>>
>>
>> e.g. Which side of a bond the double bond line goes:
>> http://www.cambridgesoft.com/services/documentation/sdk/chem
>> draw/cdx/properties/Bond_DoublePosition.htm
>>
>> John
>> ​
>>
>
>
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