Example: Switch Control to Another File within Loops

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Example: Switch Control to Another File within Loops

When X-PLOR executes loops, it stores all input information in internal buffers. This may not be desirable if one wants to “loop through several files." To do this, one should use the “@@" statement. In the following example, four coordinate files are rms-compared to a set of reference coordinates:

 
coordinate disposition=comp @reference.pdb
for $1 in ( "coor1.pdb" "coor2.pdb" "coor3.pdb" "coor4.pdb" ) loop main
   coordinate @@$1
   coordinate rms end 
end loop main

Xplor-NIH 2024-09-13