On Fri, Aug 19, 2016 at 9:36 AM, Peter Murray-Rust <pm...@cam.ac.uk> wrote:

>
> On Thu, Aug 18, 2016 at 7:51 PM, Geoffrey Hutchison <geo...@pitt.edu>
> wrote:
>
>> > I have suggested that there are Open tools that they may not yet have
>> discovered. They have needs for (at least):
>> >  * 2-D chemical editor and display
>>
>> I do not think such a thing currently exists. The ChemDoodle tool, while
>> not open, is at least low cost, and they do support open source web
>> components (http://web.chemdoodle.com/)
>>
>> This is a sorely lacking area.
>>
>>
> It might be useful to categorize those areas where more effort would be
> valuable. Did John May put effort into JChempaint - what I saw was
> certainly improved from when I last visited it. Is it a useful tool, being
> used? And if not is it capable of being developed.
> It's a pity that JME is not open - after about 20 years.
>

Agreed.

There's also Alex Clark's SketchEl (http://sketchel.sourceforge.net/) and
EPAMs (formerly GGA) ketcher (
http://lifescience.opensource.epam.com/ketcher/index.html). I haven't made
extensive use of either, but I believe that both are still being actively
developed.


> Graphics libraries have improved - a good MSc student could develop an
> editor - should we have a wish list that could be distributed?
>

Even if it were possible for an MSc student to develop a decent editor in
the time available to them, someone would need to take over ongoing
ownership and support of the tool. This seems to be more of a problem.

-greg
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