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Case 1
**Steps to Reproduce**
1. Execute the v2/indigo/calculate_cip with the following parameters:
struct:
[Structure with the List atom.zip](https://github.com/epam/Indigo/files/8738478/Structur…
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Case 1
Steps to Reproduce:
1. Execute the /v2/indigo/layout with the following parameters:
struct:
[structure with reaction arrow.zip](https://github.com/epam/Indigo/files/8713697/structure.with.r…
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In GitLab by @tjlaboss on Feb 19, 2022, 09:56
See, e.g., [material.py#L173](https://hpcgitlab.hpc.inl.gov/experiment_analysis/mcnpy/-/blob/a804cf90b0d6bf54c8aafb3f16ec14243af923e5/mcnpy/data_cards/ma…
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In GitLab by @tjlaboss on Feb 19, 2022, 09:56
See, e.g., [material.py#L173](https://hpcgitlab.hpc.inl.gov/experiment_analysis/mcnpy/-/blob/a804cf90b0d6bf54c8aafb3f16ec14243af923e5/mcnpy/data_cards/ma…
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I have found that increasing the maxpeakwidth parameter used by PerformPeakProfiling function from 500 to 1000 counterintuitively decreases the number of peaks called. I initially increased it to 1000…
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There is a new Python-based cheminformatics toolkit: PIKAChU!
https://github.com/BTheDragonMaster/pikachu
RanDepict could profit a lot from using its depiction functions.
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Hi Rovshan,
I get the error in the attached file when I try to run the "d2ome" software using a default quant.state file. It appears to work initially, writing Proteins.csv files and a file for each …
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I had a lot of fun playing this mod. Thank you! :D
# The suggestion
Instead of splitting the nuclei by 2, the fission reactor would generate many byproducts. One of the three events bellow could …
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I am using the following command to convert a Thermo/HF raw file into MGF
```
"F:\OneDrive - NTNU\ProteoWizard 3.0.22155.0ff594f 64-bit\msconvert.exe" --filter "peakPicking true 1-" --mgf l:\190128…
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### Basic information
* My operating system: Windows 11 Pro, 64 bits
* My MZmine version: MZmine 3.1.0 beta
### What happened
I am trying to remove adducts from the Feature grouping, Relatio…