mksup: Generate superpositions for Midas

Usage:

mk1sup number_of_structures destination_structure atoms_to_superimpose

Description:

mk1sup prints out the series of commands needed by Midas to superimpose the members of a family of structures onto a single structure. See also the superposition how-to for step by step instructions on using these programs together.

Examples:

mk1sup 10 0 :1-15@n,c,ca > sup10.mac
Prints the commands to superimpose the other 9 structures of a family of ten structures onto the first structure (Midas numbers structures starting at 0) using the backbone atoms residues 1-15, putting them in the file sup10.mac for later use in Midas with the command read sup10.mac.

mk1sup 10 0 :1-15@n=,c=,o=,s=,p= > sup10.mac
Works the same as above, but uses all heavy atoms for the superposition.