GSAS: Getting > 1600 bond restraints in a GSAS happy format In Crystals running the script to generate the list of restraints
#use struct.txt
(which contains - search outward to 3.3Å to also get Oxy-Oxy bonds: and all symmetry equivalent bonds)
#rele punch lengths.txt
#DISTANCE
OUTPUT PUNCH=RESTRAIN
SELECT RANGE=LIMITS
LIM 0 3.3 0 0
end
#rele punch dummy.txt
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