Hi Avid, The Calc class uses the atom object to represent vectors. You will need to identify the vectors between which you want to measure the angle and represent them as "atoms" as well. For example to get the vector NH you can do
AminoAcid aa1 ... Atom N = aa1.getN(); Atom H = aa1.getH(); Atom nh = Calc.subtract(N,H); Andreas On Tue, Jun 21, 2011 at 4:49 AM, MOHAMMAD (AVID) AFZAL <[email protected]> wrote: > Dear Dr.PRLIC , > I want to calculate NHO and COH angle in a pdb file, using bioJava. However > the angle method only takes two atoms as parameter and in your weblog you > only mentioned how to calculate hydrogen bond energy by using distance > method. I wonder how can I find the angle of hydrogen bond by using bioJava. > Thank you kindly in advance for your time and concern. > Yours sincerely, > Avid Afzal. _______________________________________________ Biojava-l mailing list - [email protected] http://lists.open-bio.org/mailman/listinfo/biojava-l
