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ReactionMechanismGenerator / RMG-website

A Django-powered website for Reaction Mechanism Generator (RMG)
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RMG kinetics search cannot perform kinetics search #229

Closed alongd closed 2 years ago

alongd commented 3 years ago

Searching for CH4 + OH, or other simple reactions I expect RMG to know about, results in the message:

image

Is the search temporally down?

xiaoruiDong commented 3 years ago

Searching for CH4 + OH, or other simple reactions I expect RMG to know about, results in the message:

image

Is the search temporally down?

Hi @alongd, Jon and I have difficulty reproducing your issue. Can you let us know how did you do the search? Have you tried 'C' and '[OH]' instead of CH4 and OH? Thanks!

xiaoruiDong commented 3 years ago

I reach the same page if I search with 'C' and 'OH', is that what you tried?

alongd commented 3 years ago

Hi, I tried with proper SMILES (C and [OH]). I still get the same "no results found" message. Strange that we both see different things. I tried using a VPN connecting through North America (NY), and I confirm that this issue isn't location-based (got the same message through the VPN)

Let's keep an eye on it. I'll keep trying to see if anything changes. Please see if you observe any glitches as well.

jonwzheng commented 3 years ago

Hi Alon, thanks for posting this. Hmm, could you share what link you get when you make the search with C and [OH] in the kinetics search? Do you get the following page:

https://rmg.mit.edu/database/kinetics/results/reactant1=1%20C%20u0%20p0%20c0%20%7B2,S%7D%20%7B3,S%7D%20%7B4,S%7D%20%7B5,S%7D%0D%0A2%20H%20u0%20p0%20c0%20%7B1,S%7D%0D%0A3%20H%20u0%20p0%20c0%20%7B1,S%7D%0D%0A4%20H%20u0%20p0%20c0%20%7B1,S%7D%0D%0A5%20H%20u0%20p0%20c0%20%7B1,S%7D__reactant2=multiplicity%202%0D%0A1%20O%20u1%20p2%20c0%20%7B2,S%7D%0D%0A2%20H%20u0%20p0%20c0%20%7B1,S%7D__res=True

alongd commented 2 years ago

The feature's working again for me, closing issue (thanks for the assistance!)