Dear BobA few years ago, you helped me to write a script aiming at displaying the facetting of nanoclusters. Unfortunately, it no longer works under the 14.1 versions of jmol and beyond. The line at which the error seems to happen is indicated in the script reported below. Your help would be appreciated, I am unable to understand the origin of this problem and to fix it by myself - if possible
Regards Romuald
Var atoms = {Ruthenium}
Var n = atoms.length
Var minDistance = 3.3 # perhaps
for (Var i = 1; i <= n; i++) {
Var a = atoms[i]
for (Var j = i + 1; j <= n; j++) {
Var b = atoms[j]
# THE ERROR SEEMS TO BE NEXT LINE, when I check the script, it returns
"ERROR: invalid argument" and b.distance(a) is highlighted in red
if (b.distance(a) < minDistance) {
for (Var k = j + 1; k <= n; k++) {
Var c = atoms[k]
if (c.distance(a) < minDistance && c.distance(b) < minDistance) {
draw ID @{"d" + i + j + k} @a @b @c
color $@{"d" + i + j + k} grey translucent 0.2
}
}
}
}
}
<<attachment: romuald_poteau.vcf>>
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