RMG-website
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A Django-powered website for Reaction Mechanism Generator (RMG)
Seems large molecules (e.g., CCCCCCCCCCCC[C]1C=CC=CC1CCCCCCCCCCC) still cannot be rendered in molecule search. 
Trying leads to this: ``` python Traceback: File "/usr/local/lib/python2.7/dist-packages/django/core/handlers/base.py" in get_response 111. response = callback(request, *callback_args, **callback_kwargs) File "/var/www/RMG-website/rmgweb/rmg/views.py" in compareModels 108. diff.createOutput() File "/var/www/RMG-website/rmgweb/rmg/models.py" in createOutput 212. saveCompareHTML(self.path, self.chemkin1,...
It was suggested today that the pre-filled template form that is created when you make a training reaction should be different: - include uncertainties (or placeholders for them) on at...
In many cases, the Arrhenius plots have limits that entirely negate their purpose. For instance, reactions with relevance only above a certain T do not need to be plotted down...
The displayed equation for Fcent should not have the extra exp(-T2/T) term
Stephen Klippenstein suggests an ability to search (thermo and kinetics) by chemical formula (stoichiometry) instead of SMILES. A lot of people would find this helpful.
Follows up on: https://github.com/ReactionMechanismGenerator/RMG-website/pull/88 - Depositories: being able to specify training reactions to be on vs. off, or turning on all of them (including NIST I presume?) - Families: setting...
One of the main functions of the plot kinetics tool is to fit reverse rates for reactions. It does this using thermo data provided in the Chemkin input file. However,...
# Motivation The RMG website code is fairly large, and changes upstream in RMG-Py and RMG-database have the ability to affect functionality of the website. Some unit tests are already...
In the case of the H + SO -> HSO reaction (data is from [Sulfur/GlaborgMarchall/68](https://rmg.mit.edu/database/kinetics/libraries/Sulfur/GlarborgMarshall/68/)), the unit appears as m9/mol3/s on the RMG website when doing the kinetics search. However,...