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revision 1.9, Mon Jul 16 20:04:51 2007 UTC revision 1.10, Mon Aug 20 23:23:21 2007 UTC
# Line 8  Line 8 
8      use HTML;      use HTML;
9      use Sprout;      use Sprout;
10      use RHLigands;      use RHLigands;
11        use Tracer;
12      use base 'SearchHelper';      use base 'SearchHelper';
13    
14  =head1 Drug Target PDB Docking Results Search Helper  =head1 Drug Target PDB Docking Results Search Helper
# Line 195  Line 196 
196          $self->SetMessage("No PDB specified.");          $self->SetMessage("No PDB specified.");
197      } else {      } else {
198          # Get the ligand result helper.          # Get the ligand result helper.
199          my $rhelp = RHLigands->new();          my $rhelp = RHLigands->new($self);
200          # Set the default output columns.          # Set the default output columns.
201          $self->DefaultColumns($rhelp);          $self->DefaultColumns($rhelp);
202          # Add the extra columns, most of which are taking from DocksWith.          # Add the extra columns, most of which are taking from DocksWith.
# Line 225  Line 226 
226              # Format the energy results so they don't look so awful.              # Format the energy results so they don't look so awful.
227              ($total, $electro, $vander) = map { sprintf('%.2f', $_) } ($total, $electro, $vander);              ($total, $electro, $vander) = map { sprintf('%.2f', $_) } ($total, $electro, $vander);
228              # Put the extra columns.              # Put the extra columns.
229              $rhelp->PutExtraColumns(total => $total, electrostatic => $electro, vanderwaals => $vander,              $rhelp->PutExtraColumns(energy => $total, electrostatic => $electro, vanderwaals => $vander,
230                                      tool => $tool);                                      tool => $tool);
231              # Finally, we must compute the sort key. We're getting the records in the correct order, so              # Finally, we must compute the sort key. We're getting the records in the correct order, so
232              # the sort key is the ordinal of this record, which we are keeping in $retVal.              # the sort key is the ordinal of this record, which we are keeping in $retVal.

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