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**Aim:**
This issue addresses how to apply LigGrep to filter through docked ligand poses to check that they retain key interactions with the protein that are observed in crystallographic fragment-p…
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## Description
Windows always open on the secondary display
### Problem Explanation
When new windows / applications are opened, they appear briefly where they should (the primary display) the…
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This may be a tricky issue to solve.
When using a path based dock, there is a drift that nudges the ligand towards the current path node. If the ligand has formed a bond with the receptor, that bon…
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I see, and this is because the img32 transform convention is reversed to SVG sequence:
Your code (matrixRotate(); matrixScale()) is equivalent with: svgScale(); svgRotate();
SVG adds …
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Hi,
The demo.sh and variations have this argument:
--model-dir checkpoint_best.pt
This file does not exist. If I replace it by:
--model-dir ../weights/unimol_docking_v2_240517.pt
I get errors …
CLG68 updated
1 month ago
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In preparation for our study on using a genetic algorithm to find good binders for MurC (more on that later), Casper Steinmann (@cstein) has docked 250K molecules from the ZINC database and 10K molecu…
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### Description
It would be useful to be able to define how an AUI panel that can be floated can be re-docked, rather than the current situation where if a panel is allowed to be floated, it can be…
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There is something strange going on with ships set to dock (ship:AIDockWith(starport)). The AI triggers the event "onAICompleted", but flight status of the ship is stuck in "DOCKING". Either the docki…
ghost updated
6 months ago
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Hello everyone, I am Faustina. I am an Mpharm student researching on the design of fragments for Open source antibiotics. I have looked at the current poses that have been done on the Mur D and Mur E…
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Version: 1.74
Branch: Docking
Back-ends: DirectX 11
Compiler: Visual Studio 2017, 141 toolchain
Operating System: Windows 10
There's appears to be some issues with depth sorting with the exam…