Hi,
I am trying to write a script to allow me to convert a .xtd trajectory to a .pdb trajectory. As a first step, I tried to export first frame of the trajectory to .pdb structure file. However, The script goes to completion successfully without creating any output PDB file. How can I address this problem?
Below are the control statements that I am using.
my \$trajectory = \$Documents{"small.xtd"}->Trajectory;
my \$N_frames = \$trajectory->NumFrames;
for (my \$i=0; \$i<\$1; \$i++){
\$trajectory->CurrentFrame = \$i+1;
my \$doc = \$trajectory;
\$doc->Export("C:\\Documents and Settings\\pr0001ai\\My Documents\\Frame1.pdb");
Documents->SaveAll;
}
Documents->SaveAll;
I am trying to write a script to allow me to convert a .xtd trajectory to a .pdb trajectory. As a first step, I tried to export first frame of the trajectory to .pdb structure file. However, The script goes to completion successfully without creating any output PDB file. How can I address this problem?
Below are the control statements that I am using.
my \$trajectory = \$Documents{"small.xtd"}->Trajectory;
my \$N_frames = \$trajectory->NumFrames;
for (my \$i=0; \$i<\$1; \$i++){
\$trajectory->CurrentFrame = \$i+1;
my \$doc = \$trajectory;
\$doc->Export("C:\\Documents and Settings\\pr0001ai\\My Documents\\Frame1.pdb");
Documents->SaveAll;
}
Documents->SaveAll;