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ex01.csh script running problem http://mgl.scripps.edu/forum/viewtopic.php?f=27&t=3257 |
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Author: | Ash100 [ Thu Jul 07, 2016 7:12 am ] |
Post subject: | ex01.csh script running problem |
Hello, Sorry in advance if my questions are very basics. I trying to repeat PDF tutorial files for my small ZINC library and receptor. # use the UNIX utility csplit to divide the multi-molecule mol2 # file into separate files cat $VSTROOT/zinc.mol2|csplit –ftmp –n –ks – ‘%^@.TRIPSO.MOLECULE%’ ‘/^@.TRIPOS.MOLECULE/’ ‘{* }’ Using the above script I have successfully generated the tmp files. #Rename the tmp file according to ZINC identifier # Here is the outline of how we do this: # 1. Extract ZINCn8 from the tmpNNNN file and set to variable # 2. If the Zn8.mol2 file does not exit, rename tmpNNNN files foreach f (tmp*) echo $f set zid = `grep ZINC $f` if !(-e “$zid”.mol2) then set filename = “$zid”.mol2 else foreach n (`seq –w 1 99`) if !(-e “$zid”_”$n”.mol2) then set filename = “$zid”_”$n”.mol2 break endif end endif mv –v $f $filename end Now when ever I try the foreach f (tmp*) step, every time I received an error of bash :syntax near unexpected token error '('. Please guide me how I can successfully finish this step or where I am making a mistake? |
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