The aim was to understand the functions of the Chemotion ELN in detail and to accommodate theoretical chemistry data in the ELN with the help of the json reader that has just been made available.
After a general introduction and hands-on sessions on the various functions (many thanks to Benjamin Golub (TU BS, UB) for his support!), we got straight down to "hacking". Apart from the work in the ELN and in the code of parsers, there were also intensive discussions in between, e.g. where the theoretical data is best stored in the ELN.
The end result was an exhausted team, a first prototype of how Chemotion can be used in theoretical chemistry in the future and an extensive wish list to the Chemotion developers.
