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Hello,
I am trying to animate a system using ANM in the NMWiz plugin for VMD. I have tried two ways:
1) Create and save an ANM modes file
```
writeNMD('anm_modes.nmd', anm[:5], phage.select('c…
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I am trying to model a protein homodimer complexed with dsDNA. I have entered in the two identical protein monomer chains as separate files and DNA strands as two separate files. In a command similar …
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Right now openfold asks for old pytorch + cuda (11.2), thus latest linux is not able to build openfold.
Would like to upgrade the supported pytorch + cuda and other python packages accordingly, so …
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I'm pretty sure that nobody will know what most of these mean.
Evide…
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Apologies if I am misconstruing something here, but it seems there is a lot of effort going on here to duplicate ontologies that exist in the OBO library -- ontologies that are widely in use for major…
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**Describe the bug**
The streamline features of DatasetInteractive produces incorrect and non-unique symbols.
**To Reproduce**
My adata:
```
a
View of AnnData object with n_obs × n_vars = 100 × …
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Dear HADDOCK3 Development Team,
I hope this message finds you well. I am currently looking to perform batch docking between various proteins and peptides to identify candidate proteins. However, I …
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Current workflow provided by @granepura:
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NWChem has QM/MM capabilities that allow one to optimize the positions of all atoms (QM, Link atoms, MM Solute, and Solvent). When running a dynamics simulation with the QM/MM module the time evolutio…
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I am trying to run the following federated query on a virtuoso 7.1 instance:
SELECT ?pwIdentifier ?disease ?pwTitle WHERE {
SERVICE http://beta.sparql.uniprot.org/{
?protein up:annotation ?annota…