We are trying to calculate DNA bend angle using the output obtained from

X3DNA online software, we use the equation given below to solve the

problem and we were unsuccessful.

acos(dot(a, b)) * 180/pi as mentioned in the blog of Prof. Xiang-Jan Lu

Can anyone please help us in solving the bend angle for the following vectors

Global linear helical axis defined by equivalent C1' and RN9/YN1 atom pairs

Deviation from regular linear helix: 3.42(0.40)

Helix: -0.007 -0.076 0.997

HETATM 9998 XS X X 999 68.227 2.641 -26.513

HETATM 9999 XE X X 999 67.797 -2.012 34.748

Average and standard deviation of helix radius:

P: 9.51(0.62), O4': 6.66(0.67), C1': 6.05(0.65)Helix: -0.007 -0.076 0.997

Looking for your reply

Regards,

Joseph Hussain

Research scholar, Dept. of Chemistry,

IIT Bombay, Mumbai

P.S Prof. Xiang-Jan Lu, some how I could not post this in the forum, can you please help me in posting this message. Thank you