If you know C++, I've found Kevin Cowtan's Clipper libraries very useful for doing little analyses involving coordinate superposition, etc. I'm not sure I would recommend learning C++ just for this purpose (though it's a good language to know). Clipper is distributed in CCP4
Phil On 24 Jan 2012, at 04:46, Yuri Pompeu wrote: > Hello Everyone, > I want to play around with some coding/programming. Just simple calculations > from an input PDB file, B factors averages, occupancies, molecular weight, so > forth... > What should I use python,C++, visual basic? > thanks
