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| + | {{tag>data}} | ||
| + | ===== Sec files ===== | ||
| + | This is a data file created by the inhouse algorithm secmake. This gives information on all the secondary structure elements present within a particular protein structure. | ||
| + | |||
| + | The number of secondary structures (as calculated by [[glossary:wolf | WOLF]] in the protein of interest is given, and then a list that, for each secondary structure, gives the following information: | ||
| + | |||
| + | Secondary_Structure_Number Secondary_Structure_Type+ Start_Residue_of_Secondary_Structure Stop_Residue midpoint_x++ midpoint_y midpoint_z direction_x direction_y direction_z+++ | ||
| + | |||
| + | =============================== | ||
| + | |||
| + | + S = [[glossary:beta_sheet |beta sheet ]], H = [[glossary:alpha_helix | alpha helix]]. | ||
| + | |||
| + | ++ midpoint is the coordinates of the midpoint of the secondary struture. | ||
| + | |||
| + | +++ direction is a unit vector in along the secondary structure from the start to the end. | ||
