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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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[Molstar](https://molstar.org) is a web application for visualizing structures of macromolecules. For an example visualization, see [here](https://pdb-dev.wwpdb.org/view3d.html?PDBDEV_00000001).
W…
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Please supply the following information:
Short title: eg., CITEViz: Replicating the Interactive Flow Cytometry Workflow in CITE-Seq
Workshop URL: eg., https://github.com/gartician/CITEVizWorkshop
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This ticket replace and complete the following old tickets:
* https://github.com/geneontology/noctua/issues/39
* https://github.com/geneontology/noctua/issues/231
## Current requirements:
- [ ] …
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Currently, GO:0043683 type IV pilus biogenesis is_a GO:0009297 pilus assembly. https://www.ebi.ac.uk/QuickGO-Old/GTerm?id=GO:0043683#term=ancchart
However, GO:0043683 type IV pilus biogenesis is de…
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Hi, I am trying to implement a sio2 with infinite length in the x and y dimension, which means I will have several bonds go across the pbc box boundary. I initially create the system and minimize the …
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### Steps to Reproduce
view https://ocw-published.odl.mit.edu/courses/7-01sc-fundamentals-of-biology-fall-2011/pages/biochemistry/macromolecules-lipids-carbohydrates-nucleic-acid/
### Expected B…
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Hello,
Discussing with @amorgat about how Rhea and GO represent biochemical reactions, here are a few points to consider:
- in Rhea each reaction is represented by a 'master' (undefined directi…
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Hi,
I am writing here to seek your help regarding running the PCF program. I followed all the instructions, got the pgdb, and then run PCF, but it seems to give me errors and crash. Please find bel…
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### Team Name:
Quionizers
### Project Description:
Computes the ground state binding energies of glutamine in order to facilitate speedups in the development of novel Covid-19 vaccines. A p…