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In the virtual sites specification, the behaviour of `match` is never described in the spec -- only the allowed values. As this affects how many particles are added to the molecule, it's an important …
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**Under construction**
- Is it safe to assume two isomorphic molecules are parametrized identically? **Yes**
- Without this, each i.e. solvent molecule would need its own `[ molecule ]` directiv…
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Molecule [mobley_3323117](https://github.com/MobleyLab/FreeSolv/blob/master/database.txt#L209) ([sulfolane](https://en.wikipedia.org/wiki/Sulfolane)) is written with the non-standard SMILES `C1CC[S+2]…
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- I am a ELN admin
# Expected Behavior
If one uses Ketcher 2 in order to be able to adjust the font size one would expect to be able to read the Atoms contained in large molecules after saving w…
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Indeed, by default, we don't include [sif patterns](https://beta.pathwaycommons.org/pc2/formats):
- chemical-affects
- consumption-controled-by
- controls-production-of
- controls-transpor…
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Based on the current experimental data as shown on the table, substituting the oxetane to cyclopropane leads to no binding at all. However, by substituting the chlorine with trifluoromethyl group …
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Building on H4, investigate the following:
**1. How many molecules fall within X distance (in feature space) of the selected molecule?**
Maybe X is a function of number of features? Or a constant.
…
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Hello!
This is more of a question than an issue.
Let's say we want to simulate a protein-ligand complex. For the protein we use the Amber forcefield and for the ligand GAFF. However, the ligand…
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Create a template of the illustration card molecule. Functionality to be added later. To be used as a template for the illustrations page.
reference:
https://app.zeplin.io/project/5f89759b13eca85…
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Template for the storyboard player molecule. Separate pagination function as a different molecule?
reference:
https://app.zeplin.io/project/5f89759b13eca85c429c1161/screen/5f9bf5da994fa723b93007…