mksup: Generate pairwise superpositions for Midas
Usage:
mksup number_of_structures atoms_to_superimpose
Description:
mksup prints out the series of commands needed
by Midas to do all of the superpositions needed to calculate the
average pairwise superposition of a family of structures. The
output from Midas is usually saved using
mterm or midas.tty and the average pairwise superposition
calculated using calcrms. See also the
superposition how-to
for step by step instructions on using these programs together.
Examples:
mksup 10 :1-15@n,c,ca > sup10.mac
Prints the commands to do all of the pairwise superpositions for
ten structures 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.
mksup 10 :1-15@n=,c=,o=,s=,p= > sup10.mac
Works the same as above, but uses all heavy atoms for the
superposition.