Hi Stuart, We have some small snippets here ( https://github.com/cdk/cdk/wiki/Toolkit-Rosetta) but most of our doc is geared towards having at least some familiarity with writing and using Java libraries. Saying you don't see a plugin in the IDE for CDK is like saying you don't see a petrol cap on an electric car. Removing the Python vs JAVA issues - CDK is a chemistry toolkit (distinctly not an application) - you link in the JAR file to your own code and use it's components. IDE plugins help you code, formatting, syntax highlighting etc.
Now skipping over a lot of details you can link a Java JAR in different ways either manually via the classpath or more commonly via a build tool (e.g. maven/gradle/ant). Before going further I think it would be better to start from what you hope to do, i.e. why CDK within the PyCharm IDE? Are you just wanting to have a play around or was there a task you wanted to accomplish? John On Wed, 24 Jun 2020 at 23:26, Chalk, Stuart <[email protected]> wrote: > Markus > > Thanks for that great idea! > > Sadly, I don’t find CDK in the Plugin marketplace for PyCharm. > All the plugins are coding related of course... > > Regards, > Stuart > > On Jun 24, 2020, at 5:35 PM, Markus Sitzmann <[email protected]> > wrote: > > Hi Stuart, > > Pycharm is a specialized version of the IntelliJ IDE for python, Intelij > itself (and pycharm) is written in Java, so the solution for CDK should be > using Intelij. I am not sure if you can get Java extensions for pycharm > (the professional versions of pycharm and IntelliJ even require separate > licenses, but there is a community version of both) > > Markus > > ----------- > Markus Sitzmann > > > On 24. Jun 2020, at 23:20, Chalk, Stuart <[email protected]> wrote: > > I am interested in using CDK within the PyCharm IDE. I see that the > recommendation on the CDK website is to use Cinfony, however the package on > PyPi does not work and there does not seem to be a version after 2012. > If anyone has expertise/advise/suggestions please let me know… > > I hope everyone out there in CDK land is doing OK given the current > situation... > > Stuart Chalk, Ph.D. > Professor of Chemistry > Department of Chemistry, Building 50, Room 3514, > University of North Florida > 1 UNF Drive, Jacksonville, FL 32224 USA > ORCID: 0000-0002-0703-7776 > P: 904-620-1938 > F: 904-620-3535 > E: [email protected] > W: http://www.unf.edu/coas/chemistry/ > <https://nam01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.unf.edu%2Fcoas%2Fchemistry%2Ffaculty%2FStuart_Chalk.aspx&data=02%7C01%7Cschalk%40unf.edu%7Cf866db3104fc4cfc648a08d818869714%7Cdf29b2fa8929482f9dbb60ff4df224c4%7C1%7C0%7C637286313627302594&sdata=b9z2r5uXAIaAsPmbsOqACtpzakbdca25P5GPbljcYps%3D&reserved=0> > faculty/Stuart_Chalk.aspx > <https://nam01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.unf.edu%2Fcoas%2Fchemistry%2Ffaculty%2FStuart_Chalk.aspx&data=02%7C01%7Cschalk%40unf.edu%7Cf866db3104fc4cfc648a08d818869714%7Cdf29b2fa8929482f9dbb60ff4df224c4%7C1%7C0%7C637286313627312594&sdata=i%2FnwFbcK%2FOsXyg3blJnalT9u99oFsrW3IatqBpMsNDI%3D&reserved=0> > > _______________________________________________ > Cdk-user mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/cdk-user > > > _______________________________________________ > Cdk-user mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/cdk-user >
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