Friday, 13 June 2014

First Week!

      Started putting together a series of structures for ILE using python ... I think I will never understand how for loops and dictionaries work! Oh well its good fun and sort of shows how useful computing can be since now its easy to produce any number of ILE rotamers.

Towards the end of this week I managed to measure the phi/psi angles for the 'top500' PDB files. Hopefully these will be able to give me an indication of the backbone angles for that are populated so that I can make chi 1 and ch 2 rotamers for each one.


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