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A few questions:
1. Is there any significant downside to inputting a ligand as a 2D .pdbqt file rather than its 3d equivalent?
2. Assuming the answer to (1) is a **yes**, maybe Autodock Vina can i…
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Hello, I'd like to modify some property metadata without processing the entire dataset again, so I aim to mount the database container and modify the table. What is the path to the table in the contai…
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In an off-the-cuff remark, the official documentation advises setting exhaustibility at `32`, rather than the default `8`, for a `20*20*20` box but there's nothing more on these aspects. Certain bioin…
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## Some information
Operating system: windows 11
Java version: build 1.8.0_371-b11
Minecraft version: 1.20.1
Baritone version: baritone-api-fabric
Other mods (if used): meteor litematica
## Ex…
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### Description of the new feature / enhancement
Add a real ruler on the screen (like in the edition of the screen capture tool from Windows).
The ruler is not linked to the mouse pointer.
The rule…
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We get a lot of messages: "Could not add MoverNH3Rotator to chain B NCO 103: MoverNH3Rotator(): Partner does not have three bonded friends" because the rotator is attached to a Cobalt that has six bon…
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**Describe the bug**
When you drag a node of a graph (left click on a node, hold the click, and move the mouse) the second time, the node doesn't move, then the icon appears to be close to the mouse…
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Problem with MolProbity:
(done) 1dfu GLY chain N 75 2'O should be hydrogen bonded to HIS 88 NE2 of the protein is broken.
**@todo:** 1lnt A residue 8 N7 on the base to a water that is a calcium liga…
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Edit link and change to the rotatable shape (2nd one)
![Image](https://user-images.githubusercontent.com/19924289/193468350-0409f457-8a8c-4526-bcda-76743baf5dd6.png)
Rotate link
![Image](https://user-…
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I am trying to install Kubernetes on my Ubuntu 22.04 machine. When I try the following command:
`sudo kubeadm init --skip-phases=addon/kube-proxy --pod-network-cidr=10.244.0.0/16 --v=5`
I get th…