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I think we should consider obsoleting this term, unless there is a strong reason to keep it.
It does not have any annotations or a reference. From my knowledge of LRR motifs they are often scaffold…
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Original ticket https://networkx.lanl.gov/trac/ticket/605
Reported 2011-07-22 by trac user franckkalala, assigned to @hagberg.
In chemical graph theory, the Estrada index is a topological index of pr…
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We have been using BioSimSpace to parameterise Cathepsin ligands using GAFF2 via Antechamber. The parameterisation is successful and BioSimSpace/Sire can read the final output files generated by tLEaP…
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Update the following URL to point to the GitHub repository of
the package you wish to submit to _Bioconductor_
- Repository: https://github.com/datapplab/SBGNview
Confirm the following by edi…
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Hi there,
It would be great if you could implement a tool in which you can select two regions of the protein system and calculate the the total or the number of hydrogen bonds or salt bridges betwe…
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Hi,
This new isue follow the #71
My problem is very simple: I wat that the following code return the original Residue.number value instead of Residue.idx. So for example I replace
`hydrophobic_con…
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Is there anyway to calculate contacts just between polymer and ligand, without showing polymer to polymer interactions or ligand to ligand interactions?
I tried: sele:"polymer and ligand" and it dos…
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I have a TSV file training_abstracts.tsv when I use the function:
‘def test1():
with open('F:\\small paper\\ner\\data_file\\training_abstracts.tsv', 'r', encoding='utf-8') as f1:
line =…
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I'm encountering an issue where a `prmtop` written by ParmEd can't be re-read by ParmEd. This happens after combining and saving two structures, which can independently be written and re-read by ParmE…
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{
"body": {
"sections": {
"section": [
{
"@id": "sec1",
"section-title": "Introduction",
"para": [
{
…