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