btwisted reads a pure DNA sequence and calculates by simple arithmetic the probable overall twist of the sequence and the stacking energy.
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The program requires two data files. A file (Eangles.dat by default) containing base pair twist angles, and another (Eenergy.dat) containing base pair stacking energies. No check is made that all dinucleotides are listed in the files and so read for their energy and twist. Attempting to run btwisted with an incomplete data file will result a fatal error if the sequence contains a dinucleotide not in the data files.
Eangles.dat consists of the data:
aa 35.6 0.1 ac 34.4 1.3 ag 27.7 1.5 at 31.5 1.1 ca 34.5 0.9 cc 33.7 0.1 cg 29.8 1.1 ct 27.7 1.5 ga 36.9 0.9 gc 40.0 1.2 gg 33.7 0.1 gt 34.4 1.3 ta 36.0 1.0 tc 36.9 0.9 tg 34.5 0.9 tt 35.6 0.1
'Eenergy.dat' consists of the data:
#base pair stacking energy for B-DNA aa -5.37 ac -10.51 ag -6.78 at -6.57 ca -6.57 cc -8.26 cg -9.69 ct -6.78 ga -9.81 gc -14.59 gg -8.26 gt -10.51 ta -3.82 tc -9.81 tg -6.57 tt -5.37
This application was written during the first Scandinavian EMBOSS Workshop.