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IMPROVMENT
Adding an option to be able to import a list of m/z of interest to generate their EICs.
Alternatively to extracting the ion chromatograms one by one.
![image](https://user-images.githu…
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The possibility to string together hydrocarbons, specifically in the form of alkanes, is already possible up to Hexane, with 6 carbon moles being needed. In reality, these can be strung near infinitel…
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## Is your feature request related to a problem? ##
For InterRDF, when sel1 and sel2 contain overlapping atoms, the resulting counts (if within the distance cutoff) give hits for all combinations o…
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Hello everyone,
I just encountered that the app-localize-behavior is not working together well with a paper-dropdown-menu.
Example:
```
{{localize('ByTitle')}}
{{localize('…
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Dear EMMO developers,
a while ago there existed a "Chemistry" branch (which I do not find anymore).
Since v1.0.0.-beta5 made some good progress in consistency of the overall modelling I am wonder…
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I'm simulating cross-linked polymers. Because all the polymer chains are linked, there is only one molecule in the system. Therefore the coordinates scaling in the current MonteCarloBarostat is not re…
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Does it work with errai framework?
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Regarding the UseCase of ChemicalSubstance, I would like to use it as a property of a hypothetical Crystallization Experiment BioSchema. Thus, I believe that by adding few properties (see below) to Ch…
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Use https://github.com/reymond-group/smilesDrawer as SMILES Parser
**Notice:** The SMILES drawer module implements the complete OpenSMILES specification except for square planar, trigonal bipyramid…