Just came across this project, MZmine is an open-source project delivering a graphical, interactive software for mass-spectrometry data processing. Available on GitHub https://github.com/mzmine
Year: 2023
StarDrop 7.4. This latest release contains several new features. https://optibrium.com/downloads/StarDrop%207.4%20Quick%20Start%20Guide.pdf Core Application: * Added the ability to colour StarDrop data sets based on property values
Today I was sent a license agreement as a 6 page pdf file, I was asked to sign the document and send it back. All
PDF seems to have become the standard for online distribution of publications, this is despite many obvious limitations. In particular from the point of view
MobileMe is no longer available but this script could be modified to save in other online storage facilities. Whilst Apple now allow you to send
Beneath the beautiful Mac OS X interface lies an industrial-strength UNIX system, many of the key UNIX-based scientific applications are now available under Mac OS
This is the first of what will hopefully be a series of tutorials on Apple’s own scripting language Applescript. I should perhaps begin with a
An earlier script showed how to calculate molecular similarity between the first molecule in the file and all the other molecules using OpenBabel as shown
MOE from Chemical Computing Group is probably best known as a graphical user interface to a suite of computational chemistry tools, whilst this is indubitably the means
I often need to tag individual molecules within a dataset with a specific property, perhaps the results of clustering algorithms, the results of PAINS filtering, or Liver