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Hi,
I would like to follow the NAMD tutorial https://training.galaxyproject.org/training-material/topics/computational-chemistry/tutorials/md-simulation-namd/tutorial.html and it mentions that NAM…
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Hello,
I was wondering if I can use AutoDock-Vina for docking between proteins and peptides.If not, do you have other suggestions?
Best Regards
Soodabeh
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I don't love the way the first gender example uses the buttons while the rest show useful pairs. Should we
1. Break it into two chunks?
2. Remove it?
3. Add more than two examples to this area?
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- [ ] A tutorial on DeepChem dataloaders and how a DataLoader can be used to load in a new dataset
- [ ] A tutorial on deep microscopy, focusing on cell counting and cell segmentation
- [x] A tuto…
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## *Hosting Request*
Use this to request the hosting of an already registered lab or experiment. If the lab or experiment is not registered, please do that by raising a registration request.
- **H…
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When I construct a mol2 file using openbabel from a smiles string with a formal charge in it, I get a charge section in my mol2 file:
```
@UNITY_ATOM_ATTR
7 1
charge 1
```
in between the ATO…
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@simonbray
Hello,
In the tutorial : https://training.galaxyproject.org/training-material/topics/computational-chemistry/tutorials/setting-up-molecular-systems/tutorial.html at NVT equilibration ste…
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Based on the discussion and what we intend to do, the collection of the specific amount of data matters. The whole idea is to limit the extra fields so that things can stay on one road for the sake of…
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(originally by @fgeorgatos)
most of the content on this has been shamelessly copied^H^H^H^H^H^H borrowed from:
https://openwiki.uninett.no/metacenter:reference:noturcpe
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nglview and nglviewer natively support multiple crd and trajectory formats. The viewer in Galaxy only supports PDB. Mol2, SDF and Gro are supported datatypes for cheminformatics and computational chem…