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This is a bioinformatics question on python. I put the questions I can not do at the bottom.I calculated a hessien matri

Posted: Fri Apr 29, 2022 7:13 am
by answerhappygod
This is a bioinformatics question on python. I put the questions I can not do at the bottom.I calculated a hessien matrix of a protein or an atom group which is correct. But then use lg.eigh(Hessien) to find the modes. the first 6 modes are not correct the less it correct and i dont know why. Also I didnt quite understand the second question I put down there. How can I move the coordinates of an atom along the mode? I didnt even understand what that means.Thanks for your help1- write a function which returns the first k normal modes by diagonalizing the Hessian matrix, with k given as input parameter. Each mode is a vector of dimension 3N.
•2- write a function which takes as input a mode (vector of dimension 3N), a multiplier factor a and and moves the atoms along the mode with an amplitude determined by the multiplier factor a.