To work efficiently and reliably with the large amount and complexity of data that typically need to be analyzed in (structural) bioinformatics, automation of workflows is a must. In some cases it is possible to find existing software packages to achieve your goal. However, often no suitable package is available for your specific tasks and development of your own piece of software is needed.
Fortunately these days you can find programming platforms with a simple syntax and which require minimal knowledge about computer technology. Python is a programming language that is perfectly suitable for scientific programming: It is simple to learn, but powerful enough even for complicated tasks.
The 2-day workshop will get you started with python programming and results in a fully functional script for a real life application in NMR: The conversion from CYANA distance restraints to XPLOR distance restraints (see attached README).
It consists of lectures that introduce you to basic python programming concepts, such as
preparation of the programming environment
where to search for information
an introduction to Python basics, with topics like text manipulation, file handling etcetera (see attached program).
which are directly applied to build the CYANA to XPLOR conversion script.
Important note: Even though the example is from biological NMR, the concepts taught are suitable for anyone with a structural biology or bioinformatics background!