William Finnigan
William Finnigan
I ended up using a binder notebook to demo the stuff I was working on.
I also see this on a m1 Mac book pro, Monterey 12.0.1, safari v15.1. Having the canvas selected causes the network to be very very slow. Unselecting the canvas speeds...
``` from rdchiral.main import rdchiralReaction, rdchiralReactants, rdchiralRun rxn = rdchiralReaction('[#6:4][#8:6][#6:2](=[O:3])[#6:1]>>[#6:4][#6:2](=[O:3])[#6:1]') reactants = rdchiralReactants('C[C@@H]1CCOC(=O)CC1') outcomes = rdchiralRun(rxn, reactants) print(outcomes) ```
Ah that makes sense! (sorry, biologist here) However, enzymatically this appears to be possible. https://onlinelibrary.wiley.com/doi/epdf/10.1002/cctc.201300604 I'll have a play with the change @thomasstruble suggested. Thanks both for getting back. Hopefully...
JSGlue is a great flask add-on - its a shame to not be able to use it anymore. Would be fantastic to have this pull request approved @stewartpark 😁
Is this already possible? I'd love to use this feature.
Splitting it up and manually joining the pieces together with svg2 is what I ended up doing. I could do with finding the time to make the arrow a bit...
That's awesome! However to my eye the reaction drawing doesn't look as nice as the stand alone molecules
Hi! Sounds cool, although I've not implemented anything that complex with this library before. For reactions dependent on another reaction - this would normally be via the concentrations of one...