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tpfto / MoleculeViewer

A package for visualizing molecules.
MIT License
11 stars 5 forks source link

JME alternatives #1

Open tpfto opened 7 years ago

tpfto commented 7 years ago

As noted in its homepage, JME is deprecated. Unfortunately, the proposed replacement, JSME, does not seem to be readily interfaced with Mathematica (but this may be due to my ignorance of how to invoke and use JavaScript objects in Mathematica).

Thus,

  1. Are there other Java-based solutions for chemical drawing that are a. small; and b. easily interfaced via JLink?

or

  1. Is there a straightforward way to get JSME to work with Mathematica?
bobthechemist commented 7 years ago

IMO, holding tight for an HTML5 solution is the right way to go and JME is getting the job done in the meanwhile. Another possible solution is from Chemaxon. I used their package a number of years ago and have not followed recent developments, so I don't really know if this is a viable solution.

tpfto commented 7 years ago

I've used Marvin before. The associated *.jar file is huge, precluding a quick-n-easy inclusion into the installation. (It also needs having a license with ChemAxon, and the ChemSpider thing is apparently already annoying enough for other users.)

bobthechemist commented 7 years ago

I suspect Chemdoodle will present the same problems as JMSE, but I'm plugging it here just to keep the ideas flowing...

bobthechemist commented 6 years ago

I wonder if jmol is a viable option.

tpfto commented 6 years ago

I remember considering that first before settling with JME. I've actually forgotten why I rejected it; maybe it's time to re-evaluate it for the next point-release...

tpfto commented 5 years ago

Version 3 of MoleculeViewer is coming out Soon™. I have managed to add a few other chemical drawing methods, all based on Java applets. Still, I am wondering if there are any new developments in being able to call Javascript-based drawing software from within Mathematica.

I have seen Electron being used to run JS stuff as standalone apps, and I might need to investigate whether it or other solutions might be usable here. But that's all for a distant release.