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[求助]
perl编程
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#!/usr/bin/perl use strict; use warnings; use vars qw #open the multiframe trajectory structure file or die my $doc = $Documents{"abc.xtd"}; if (!$doc) {die "no document";} my $trajectory = $doc->Trajectory; if ($trajectory->NumFrames>1) { print "Found ".$trajectory->NumFrames." frames in the trajectory "; # Open new xmol trajectory file my $xmolFile=Documents->New("trj.txt"  ;#get atoms in the structure my $Beads = $doc->DisplayRange->Beads; my $NBeads=@$Beads; # loops over the frames my $framebegin=1; my $frameend=$trajectory->NumFrames; # my $frameend=10; for (my $frame=$framebegin; $frame<=$frameend; ++$frame){ $trajectory->CurrentFrame = $frame; #write header xyz $xmolFile->Append(sprintf "%i ", $NBeads); $xmolFile->Append(sprintf "%s %i ", "Frame",$frame); foreach my $Bead (@$Beads) { # write atom symbol and x-y-z- coordinates $xmolFile->Append(sprintf "%s %f %f %f ",$Bead->Name, $Bead->X, $Bead->Y, $Bead->Z); } } #close trajectory file $xmolFile->Close; } else { print "The " . $doc->Name . " is not a multiframe trajectory file "; 运行以上程序出现：Global symbol "%Documents" requires explicit package name at C:\Users\Administrator\AppData\Local\ActiveState\KomodoIDE\8.0\samples\perl_tutorials\abl.pl line 5. Execution of C:\Users\Administrator\AppData\Local\ActiveState\KomodoIDE\8.0\samples\perl_tutorials\abl.pl aborted due to compilation errors. 怎么回事？该怎么改？？ |
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