How to use the chemlambda collection of simulations

The chemlambda_casting folder (1GB) of simulations is now available on Figshare [1].

How to use the chemlambda collection of simulations? Here’s an example. The synthesis from a tape video [2] is reproduced here with a cheap animated gif. The movie records the simulation file 3_tape_long_5346.html which is available for download at [1].

That simple.

If you want to run it in your computer then all you have to do is to download 3_tape_long_5346.html from [1], download from the same place d3.min.js and jquery.min.js (which are there for your convenience). Put the js libs in the same folder as the html file. Open the html file with a browser, strongly recommend Safari or Chrome (not Firefox which blocks with these d3.js animations, for reasons related to d3). In case your computer has problems with the simulation (I used a macbook pro with safari) then slow it like this: edit the html file (with any editor) and look for the line starting with

return 3000 + (4*(step+(Math.random()*

and replace the “4” by “150”, it should be enough.

Here is a longer explanation. The best would be to read carefully the README [4].
“Advanced”: If you want to make another simulation for the same molecule then follow the steps.

1. The molecule used is 3_tape_long_5346.mol which is available at the library of chemlambda molecules [3].

2. So download the content of the gh-pages branch of the chemlambda repository at github [4] as explained in that link.

3. then follow the steps explained there and you’ll get a shiny new 3_tape_long_5346.html which of course may be different in details than the initial one (it depends on the script used, if you use the random rewrites scripts then of course the order of rewrites may be different).

[1] The Chemlambda collection of simulations

[2] Synthesis from a tape

[3] The library of chemlambda molecules

[4] Chemlambda repository (readme)


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