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Hi,
The function `filter_amino_acids` utilizes a hardcoded list of residues corresponding to the canonical alphabet.
```python
_ext_aa_list = ["ALA","ARG","ASN","ASP","CYS","GLN","GLU","GLY","…
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Dear Sirs,
Could you kindly help me to understand the following error message:
-- Peridigm
MPI initialized on 8 processors.
Time step (seconds):
Stable time step 7.41268e-07
User time…
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**Describe the bug**
在注释中点击翻译后无法自动添加译文至注释评论,但是左下角又有显示annotation translation saved。(,弹窗翻译正常,其他功能均正常)
zotero版本6.0.12 zotero pdf translate版本0.8.21
![QQ截图20220816115153](https://user-images.githubuse…
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The model requires certain features in order to obtain a good fit, but these parameters are not fixed, nor are they necessarily something that makes sense to be optimized for (especially in the existi…
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In the "Minimize the combined system" step of the [notebook](https://github.com/openforcefield/openff-toolkit/blob/main/examples/toolkit_showcase/toolkit_showcase.ipynb), there's the code as follows:
…
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* [ ] The polymer simulation with Langevin Dynamics becomes extremely slow when the box size is increased from 12 to to 120.
* [ ] Look into simulating polymers in poor solvent by adding a LJ-cosine …
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We have 2 terms in the vocabulary that might be the same one, i.e. polyethylene terephthalate, PET (H0500011) that is a type of polyester (H0500005).We propose to deprecate PET (H0500011) and have a …
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Hello,
in [ModelArchive (MA)](https://modelarchive.org/) we may see novel compounds/ ligands in the future. Those compounds are not necessarily stored in the [chemical components dictionary (CCD) o…
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**Versions**
- Minecraft: 1.18.2
- QuickCarpet: 3.4.0
**Crash report**
```
[14:22:20] [INFO] [FabricLoader/GameProvider]: Loading Minecraft 1.18.2 with Fabric Loader 0.13.3
[14:22:21] [main/IN…
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- [x] Create a mouse model based on the Reactome pathway
- [x] Is R-HSA-2018682 missing R-HSA-9632033 as a preceding event? Yes - DONE
- [x] We need to remember to update the relationships for trans…
ukemi updated
2 years ago