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charmm interface FF from charmm-gui
the rtf like this:
> * INTERFACE FF
> * topology for nanomaterials
> *
> 36 1
the prm title:
> * INTERFACE FF
> * topology and parameter for caly m…
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Implement a high-level interface to coordinate multiple adapters and their contents for application purposes.
Workflow:
- `pipeline.start()`
- `pipeline.add_adapter()`
- `pipeline.find_identifie…
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When converting c. HGVS from cDNA to genome coordinates, VEP appears to not take into account alignment gaps, where the cDNA has insertions/deletions vs the reference sequence.
Submission example:
…
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I was thinking it would be in one of the mapping or projection classes, but I couldn't find one. I don't want to have to rely on transcript sequence database lookups or the like, but simply provide t…
nh13 updated
5 months ago
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# Abstract
Unipept is an ecosystem of tools for the taxonomic and functional analysis of (meta)proteomics datasets. The Unipept project aims to be an easy-to-use and very accessible tool by providing…
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## Is your feature request related to a problem? ##
I'd like to directly compare AlphaFold predicted structures, datasets of PDBs and trajectories. LDDT https://academic.oup.com/bioinformatics/arti…
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Generating proteomic databases from 16S rRNA / taxonomy data.
TOOL IDEA:
Given that most of the metagenomics studies are based on 16S ribosomal RNA-based taxonomy identifications, a tool availabl…
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## Discussion
This issue is to facilitate discussion of physical property data for use in the next round of OpenFF fitting. The idea here is to have overarching discussion in this thread, and have…
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Hi all,
I run
```
user% ./NERVE.sh -epp False -vir True -rz True -p1 UP000000625 -wd /Users/ab/Applications/NERVE/docker/nerve/workdir/ecoli -g n -m True
```
and got :
```
wrote config …
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Were trying to get an pae_interaction less that 10, but when we put the contig as A100-200/0 70-100 we get i_pae (we assume its the pae_interaction score) as around 26, but when we use contig of 70-10…