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I noticed there is documentation on making custom buttons [here.](http://partridgejiang.github.io/Kekule.js/documents/tutorial/content/chemViewer.html#presets). The following code is what I am looking…
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It's been on the horizon for a while now: It seems like we need a specialized dataset RDF.
To be discussed:
- [ ] do we really need a specialized dataset RDF?
if so:
- [ ] what additiona…
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I had a case where I could not solve a small molecule 3D ED structure with shelxt 2018/2, but it solved fine with data from XDS. The cause appears to be because in that [version of sheltx](https://she…
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Hi,
I'm interested in capturing the exact state of the receptor after flexible docking.
It seems there is no description about that on docs, but is there any way to do that with vina?
If not…
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Hi Team MolViewSpec,
I've begun a project to teach myself RUST. The [pseutils](https://github.com/zachcp/pseutils) rust tool can load a pymol session file (`pse`) and output a folder with a an `ms…
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**Is your feature request related to a problem? Please describe.**
I have a PDB file that contains a trajectory of steps of optimization of a structure where amino acid identities change per frame. I…
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### Describe the bug
3.4.1 rendering crashes with resolutions at 16384 x 16384.
For mesagl -- do we need to add back max width and max height to configure?
```
--with-max-width=W, --with-max…
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From https://github.com/pombase/pombase-chado/issues/52#issuecomment-2330349791
Here is a sample of the "Modified residue" data:
SPAC144.13c; │ MOD_RES 62; /note="Phosphoserine"; /evidence="E…
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in 0.4.1, even with good docking score and high confidence, in many cases there is still no pose or MD pose field produced. see e.g. https://asap.postera.ai/molecule-set/6d369d8e-4099-4f1b-b10e-26151e…
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**Describe the bug**
PDBWriter offset bug
**To Reproduce**
- Read this .mae file containing a protein
- Write the molecule to a PDB file
- Open the PDB file in Pymol or any molecular viewer
…
nezix updated
3 months ago