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For instance in PDB 4jjk, for ligand molecule FOL. If I use selection string: `:A and polymer`, the FOL molecule is included in the selection, when it shouldn't because it is not part of the protein c…
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I need in SEQRES in the original non-translated to single-letter code, because I need to find non-standard aminoacids that are presenting in some proteins (more frequently they are hydroxyproline and …
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The Polymer should know how to calculate all internal polymer energies, and the field should know how to calculate all field energies. The Polymer should automagically log all contributors to field en…
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When we first started the Playtest for 9.0 Asphalt roads had a requirement for quicklime I believe it was in order to craft them that got removed at one point, making the jump from Stone Roads to Asph…
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I want to use the (valid) HELM
`PEPTIDE1{A.(A:1+G:2+C:3).G.C}$$$$V2.0` and I expect the webeditor to accept this and for the display to look like this:
![image](https://user-images.githubuserconten…
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how can i set secondary structure as default coloring on rendering it in code
![image](https://github.com/molstar/pdbe-molstar/assets/34815317/5edafe39-eb0b-49ce-a755-f490b11642a6)
![image](https:…
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I.e. if you were to pick out the top few that you think are representative of materials informatics or materials discovery and why
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Currently, packages that depend on this package cannot use rdkit versions past year 2022 due to the fact that poetry follows `major.minor.patch` semantic versioning by default. I propose adding pytest…
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I'd like to see the ability to make a fully functional base with just Duna and Ranger modules. This would mean adding modules for the following:
- Extract Water from Hydrates
- Process Silicates t…
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Having two modules depend on eachother in a circular fashion doesn't work when using defaults (with Polymers import/export rewrites).
Simple toy example:
module1.js:
```
import bar from "./modul…