Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

JME alternatives #1

Open
tpfto opened this issue Sep 25, 2017 · 6 comments
Open

JME alternatives #1

tpfto opened this issue Sep 25, 2017 · 6 comments
Assignees

Comments

@tpfto
Copy link
Owner

tpfto commented Sep 25, 2017

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?
@tpfto tpfto self-assigned this Sep 25, 2017
@bobthechemist
Copy link

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
Copy link
Owner Author

tpfto commented Sep 26, 2017

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
Copy link

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

@bobthechemist
Copy link

I wonder if jmol is a viable option.

@tpfto
Copy link
Owner Author

tpfto commented Sep 24, 2018

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
Copy link
Owner Author

tpfto commented Sep 20, 2019

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.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants