From: Brett G. O. <b.g...@vu...> - 2015-08-26 21:17:32
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On 26/08/2015 17:45, Ali Ebrahim wrote: > The spec right now (rc7) allows for user defined compounds, which > would include R and X. > > I thought it was actually pretty clear. From my reading of it: > R and X are allowed. > Glucose is technically allowed but (uppercase followed by lower case) > but it would be getting defined as a custom element, so it's not what > what you would want. > Dashes not allowed. > > Have I misunderstood the text? I have pasted the relevant section below. > No misunderstanding, this is the correct interpretation. b. > The format of chemicalFormula must consist only of atomic names (as in > the Periodic Table) or user defined 30 compounds either of which take > the form of a single capital letter followed by zero or more lowercase > letters. 31 Where there is more than a single atom present, this is > indicated with an integer. With regards to order (and 32 enhance > inter-operability) it is recommended to use the Hill system order > (Hill, 1900, 2012). > |