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Thanks for your work. However, as I tried to conduct protein structure clustering, the program always returns clusters based on proteins' substructure. I am wondering how can I get the cluster based o…
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### Problem to solve
PDB entries with extended Chemical Component Dictionary (CCD) or PDB IDs will be distributed in PDBx/mmCIF format only, as announced by the wwPDB in collaboration with the [PDBx…
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Is it possible to modify parts of a PDB or rewrite it entirely with this? Browsing through the docs, it looks like it only reads PDBs.
The reason I ask is that I'm considering rewriting my C++ tool…
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### Description
**What problem are you trying to solve?**
I would like the PDB used by the Karpenter Helm Chart to be configurable, so that new fields can be used if desired such as [unhealthyPodEvi…
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https://sirahff.github.io/documentation/Tutorials%20gromacs.html
2.1. PDB to GROMACS format[](https://sirahff.github.io/documentation/Tutorials%20gromacs.html#id9)
Use pdb2gmx to convert the PDB fi…
xih72 updated
1 month ago
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### Pre-requisites
- [X] I have double-checked my configuration
- [X] I have tested with the `:latest` image tag (i.e. `quay.io/argoproj/workflow-controller:latest`) and can confirm the issue stil…
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Hi, I was trying to add hydrogens to a protein's PDB file with obabel using -p option and got every TRP residues with wrong hydrogens.
`obabel input.pdb -O output.pdb -p 7.4`
Here is the PyMOL v…
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[ArkDrvApi::Process::OpenProcess] [ERR] OpenProcess by Kernel pid:4 err:2
[ArkDrvApi::Process::OpenProcess] [ERR] OpenProcess by Kernel pid:4 err:2
[OpenArk::onActionCheckUpdate] [INFO] requset se…
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### Description
COPIED FROM [Azure Pipelines Issue](https://github.com/microsoft/azure-pipelines-agent/issues/4993)
Last week, we were using VSBuild@1 (version 1.245.0), last used Friday 13th Se…
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## Expected Behavior
Thanks for your amazing tool! I want to obtain clustering results for a set of protein complex structures, not the clustering results of each chain within the protein complexes.
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