Implementation of code to make voxels in and around proteins

Project Info

1)Determine the maximum and minimum coordinates of the protein along x, y and z axes.

2)Using the maximum and minimum coordinates make a rectangular parallelepiped around the protein.

3)Enlarge the size of the parallelepiped, divide it into cubes and store them into an array.

4)Next calculate the distance of all the cubes from the protein surface to within 3 Angstroms around it store them in array.

5)The scattering curve of the hydration layer is evaluated form the cubes within 3 Angstroms around the protein.

Skills: