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[`models.qa_metric.LocalPairwise`](https://python-modelcif.readthedocs.io/en/latest/qa_metric.html#modelcif.qa_metric.LocalPairwise) is defined on the per-residue level, but as @arogozhnikov explaine…
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### Description
It seems that a minimum statement for a parameter like `min=0.0` is sometimes checked against 0.0 and sometimes against 1e-10.
### Steps to Reproduce
1. Simulate the following…
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My server was just hammered by Feedbin, because I switched my URL-based IDs to UUID-based ones, resulting in 89 requests per 0.5 seconds:
```text
[15/Nov/2024:14:07:25.559 +0000] 200 64.71.157.114…
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There's at atom for managing the owner and group of files, but no actions support this.
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I have downloaded the 3D conformer of Galantamine from Pubchem and converted the Galantamine.sdf file to a pdbqt file using the mk_perpare_ligand.py script. Now, during docking through qvina2.1, this …
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Hi,
I'm commenting a bit on the Zustand discussion boards (https://github.com/pmndrs/zustand/discussions/2830), trying to find a way to get great performance with many components listening to one Z…
beorn updated
12 hours ago
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For some songs, the current implementation does not fetch enough data for `mdat` to show up. This is one of the problematic songs:
```text
Atom ftyp @ 0 of size: 32, ends @ 32
Atom free @ 32 of s…
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Hi, I am a veteran javascript developer (also a React developer for many years) and open-source author and I simply cannot understand what this package is for.. The README is written in such a bizarre…
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Hello Prof. Sundararaman,
I'm trying to visualize solvent cavities in CANDLE using the createXSF script. I can see that it shifts the array to be centered at the coulomb truncation embed, but it se…
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Following up #668, `chem_comp_atom.alt_atom_id` is part of the internal CCD, but is not used to determine bonds yet. However some (especially older) PDB entries contain those alternative atom names. F…