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Dear @vdemichev,
First of all, thank you very much for the great software! I have used DiaNN before with its GUI on a Windows machine. However, I need to set up a linux based pipeline now and am ru…
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Hi,
We've been trying to interpret DIA data using the DIA_SpecLib_Quant worklow and encountered different issues.
We tried different version of python (3.9.13 & 3.9.1) along with different ver…
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Hi,
We are trying to identify longer petptides and therefore higher charge states and 3+ fragments become important to us.
I have a few DDA library with 5+, 6+ peptide ions included also with all …
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Hello Everyone,
**Problem Description:**
I am trying to generate a kinetic model for n-propylcyclohexane oxidation in RMG. However, on running every time RMG throws a type error that says: "'**N…
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Hello, I recently used open search to find an unknown modification of 60 AA peptides. The sample was analyzed after processing, but the results showed: Process 'ProteinProphet' finished, exit code: 1
…
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Hi,
I am using the features in low-level thermodynamic calculations (`primer3-py v2.0.3 `on` python=3.9.18`).
Here is my workflow:
```
from primer3.thermoanalysis import ThermoAnalysis
f…
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**Summary**
Introduce a new dump format, an extended xyz format, which can store arbitrary atomic and global properties as well, see [1]
**Detailed Description**
Similar to the `dump cust…
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[shikhar.zip](https://github.com/ReactionMechanismGenerator/RMG-Py/files/6257800/shikhar.zip)
### Bug Description
I have created reaction libraries (2) and families (11) to produce a mechani…
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hi Michael,
Thanks for your effort and this great tool!
I would love to use your FASTA that you used in the SAGE publication for entrapment searches:
Entrapment Searches
PXD001468: To constr…
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I am using msconvert through docker.
When the outfile is opened for writing the system function open() is invoked with flag O_RDWR.
Why not O_WRONLY?
The file is to be written right?
I am de…