Dear all,

I'm trying to measure and print out all of the bond lengths, angles and torsions from a periodic structure (file attached), along with the

corresponding atoms.  However, my attempt at the script (below) only prints out the bond part and nothing else.  No syntax errors are flagged

when I run it.

Any ideas?  Are there any glaring errors in the script?

Any help would be very much appreciated.  Many thanks in advance.

Kind regards

Naseem Ramsahye

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#!perluse strict;use MaterialsScript qw(:all);my \$doc = \$Documents{"MIL88B.xsd"};my \$bonds = \$doc->UnitCell->Bonds;my \$angles= \$doc->UnitCell->Angles;my \$torsions = \$doc->UnitCell->Torsions;foreach my \$bond (@\$bonds) {    printf "%s %s  %f\n", \$bond->Atom1->Name, \$bond->Atom2->Name, \$bond->Length;}foreach my \$angle (@\$angles) {    printf "%s %s %s  %f\n", \$angle->Atom1->Name, \$angle->Atom2->Name,\$angle->Atom3->Name, \$angle->Angle;}foreach my \$torsion (@\$torsions) {    printf "%s %s %s %s  %f\n", \$torsion->Atom1->Name, \$torsion->Atom2->Name, \$torsion->Atom3->Name, \$torsion->Atom4->Name, \$torsion->Angle;}
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