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I want to run flexible docking using vina but ad4 as a scoring function. I have prepared by receptor using prepare_receptor.py and ligand using prepare_ligand4.py. The command I am using to run it is …
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Is this a taxonomy? How should we model these. Need to do a review.
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When I execute [`02-generate-poses.py`](https://github.com/FoldingAtHome/covid-moonshot/blob/sprint-5/synthetic-enumeration/sprint-5-retrospective/02-generate-poses.py) on branch `sprint-5` under `spr…
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**Is your feature request related to a problem? Please describe.**
There is not error for unused dictionary items when using SetStatus for multiple compartments and or receptors at the same time. How…
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### Please confirm the following
- [X] I agree to follow this project's [code of conduct](https://docs.ansible.com/ansible/latest/community/code_of_conduct.html).
- [X] I have checked the [current is…
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I was able to fix the output PDB files according to #10 to get visuals that look more like proteins. However, when combining the ligand and receptor PDBs, the ligand and receptor appear to have overl…
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Hi author,
All of my package version is same as README, but I am using a RTX 4090 GPU.
After I run this command: `python main.py --mode=0 -F=../1ypo.pdb --gpu=0 --fold=1`
I got this:
```
(gnn_d…
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we need to add receptor process queue data into the SERIALIZED_RECEPTOR data blob so we can freeze and restart receptors at the exact same execution point.
zippy updated
8 years ago
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- [x] parse HTTP_REQUEST parse protcol
- [x] move current example code into base_defs
- [x] figure out routing between translation layers
- [x] add socket handling code to stream.c listener()
- [x] ad…
zippy updated
8 years ago
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Doing this as preparatory work for #109, because I want the use case to be having the HTTP receptor route shell commands to the the shell receptor, but for that to work well has to be exposed as proto…
zippy updated
8 years ago