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Contrary to popular belief, RSS isn't a normalized file format but *three* different file formats:
- RDF Site Summary (RSS 0.9 and RSS 1.0)
- Rich Site Summary (RSS 0.91)
- Really Simple Syndicatio…
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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…
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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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How can I hide all ligands and show a specific one using transparency? I want to allow the user to visualize just a particular ligand that they select from the option list.
const c…
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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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\flowmatch\data\all_atom.py line 18:
`GROUP_IDX = torch.tensor(residue_constants.restype_atom14_to_rigid_group)`
appears to create int32, which results in error 'group_maskRuntimeError: one_hot is o…
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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
23 minutes ago
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Hello,
I have been starting to work with nitrogenous surface species and have been seeing something odd and unintentional happening. It seems that RMG is applying reaction templates that do not fit…
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Any thoughts on hardware?
I was looking at the Waveshare RP2040-One as a usb stick, anything with a male USB A or C would be nice. Any thoughts or recommendations?
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EDIT - Updated 2024-10-30…
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Is there any way to select more than one atom at a time? I'd like to figure out what's in common to the atoms in a particular cluster that I see, and I hoped chemiscope would facilitate that, but othe…