Got into into a combination nightmare today doing peptide search without any enzyme cleavage site and a massive fasta file. Oops. I am going to need to find the sweetspot...
This weekend I hacked together a small cli tool to make XIC plots using the output of the Thermorawfileparser xic command. A lot of work and polishing to do, but it works! (as in it creates a png file with something that looks like a chromatogram). Tested this morning at work 👍🏻
It also comes with a multi architecture docker image with both tools bundled.
As requested by Reid Alderson, ChemEx is now in #NMROnline!
We would like to thank D. Flemming Hansen (@dflemminghansen) for providing the data, and Guillaume Bouvignies for his support with the ChemEx integration.
I also do electronic #musicproduction in #Reaper. I intend to finish my first album sometime this year. We'll see if I can throw some music up on the internet anytime soon.
We’re excited to bring you CoFest 2023, partnering with @BOSC (as always) in Lyon, France on July 22 & 23! It’s the weekend before #BOSC2023 and #ISMBECCB2023!
#NMROnline has a growing software library, with titles integrated into seamless and efficient workflows, built with industry standards and best practices.