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Hi,
it is possible to use mk_prepare_receptor.py instead of prepare_receptor
that is described in Vina basic docking?
The result is valid for the next steps?
If it is possible, which is the equi…
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Hi all,
Would it be an appealing change to you, if residues with partially resolved are modeled as Ala by mk_prepare_receptor?
In many crystal structures, methyl groups are used as placeholder…
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## Description
When I use `sq.pl.ligrec` after `sq.gr.ligrec(
adata,
n_perms=100,
cluster_key="cluster",
clusters=["Polydendrocytes", "Oligodendrocytes"],
)
`, it always …
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Hi, I have a target protein that contains a cofactor (small molecule) in the binding site and the workflow fails at the energy optimisation step (residue template missing error).
Any suggestions?
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Dear author,
I try to use the command mentioned in the readme `python scripts/sample.py --outdir ./outputs --config ./configs/sample/sample_MolDiff.yml --batch_size 32 --pocket_dir ./data/crossdock…
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El siguiente ejemplo es una simplificación de un problema que tuvo un alumno, su intención era mandar un mensaje a self pero omitió el objeto receptor, y el feedback que le dio el entorno de Wollok-ts…
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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 am trying to run this code for a mouse dataset (https://ccc-protocols.readthedocs.io/en/latest/notebooks/ccc_R/QuickStart.html):
```
# Generate list with ligand-receptors pairs in DB
lr_pairs %…
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After following this process several times, with a custom domain mydomain.com the container is not starting. This process is not clear. It would help a lot to have a full example using a domain difere…
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Hello,
I use vban for Amateur radio purposes.... How it is possible to "autostart" vban_emitter and vban_receptor at boot? It works fine by entering the commands by shell but I doesn't run by addin…