Leopold Talirz

Dear Bob, since we (like many others) are avid users of JSmol, we were wondering whether you'd be happy to share some thoughts on your future plans for the development of JSmol. E.g. in the jmol readme I saw a comment from 2018 that all development is moving to GitHub (to the SwingJS version) but there still seems to be development on the SVN as well. What are the plans in this regard (sorry if this is already written somewhere else)? I think also for JSmol, a move to GitHub could be a great way...

Dear Torbjörn , I came across cif2cell because Stefaan Cottenier mentioned it as a tool he likes to use in his DFT course [1] and I would be interested in including it in the Quantum Mobile virtual machine [2] that he uses for the course (the VM is developed here at EPFL). When I donwloaded the program, I noticed that it is written in python but that it isn't released on the python package index [3]. Since you've already written the setup.py [4], is there anything holding you back from releasing...

Ok, I believe the problem is on my side this time. I'll be looking into this now - no need for you to spend more time on this for the time being. Thanks a million for the _cover(false) suggestion - this would have taken me a long time to figure out.

Using your suggestion I can make the applet load as well now - thanks again! I guess you were already running the bokeh server - indeed the button does not work there although it should. The problem is that in return Jmol.script(_this._graph, _this.model.info_source.x[0]); for some reason _this._graph is undefined. But I guess you have already figured this out ;-)

Using your suggestion I can make the applet load as well now - thanks again! I guess you were already running the bokeh server - indeed the button does not work there although it should. The problem is that in return Jmol.script(_this._graph, _this.model.info_source.x[0]); for some reason _this.graph is undefined. But I guess you have already figured this out ;-)

Thanks a lot - I'll look into it immediately checking why the button is not working.... Just very briefly to avoid wasting your time: the button should not work in the .html version (it should only work when running the bokeh server)

Dear Bob, bokeh can either run as a server or (as long as you don't need to call back from python into your app) produce html output. Both have the same issue - for simplicity find here the html output produced by bokeh with the JSmol extension https://www.dropbox.com/s/9f9t8pdkleahbxq/jsmol.html?dl=1 In case you would like to produce the html locally/run the bokeh server, it's very simple as well. I've just updated the installation instructions on https://github.com/ltalirz/jsmol-bokeh-extension/...

P.S. Looking in the JS console, it turns out that when using the HTML approach, no messages from JSmol are shown at all (not even "JSmol load jmolApplet0 loadClazz...")