Hi,
As a follow up on:
http://www.mail-archive.com/xplor-nih at nmr.cit.nih.gov/msg00927.html
Where I told my script stops at some point writing structures, with the
error message:
EVALUATE>($filename="result/fold_"+encode($count)+"_acc.pdb")
EVALUATE: symbol $FILENAME set to "result/fold_142_acc.pdb" (string)
X-PLOR> set print-file=$filename end
*%ASSFIL-ERR: no free unit available
%ASSFIL-ERR: Error accessing file*
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
BOMLEV= 0 reached. Program execution will be terminated.
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Subroutine DIE called . Terminating
Charles said I needed to add the statement:
close $filename end
to the script.
So I did, but now error messages are as follows (end of log file shown
here):
%X-PLOR>-ERR: File result/fold_97_acc.pdb was not open.
%X-PLOR>-ERR: File result/fold_98_acc.pdb was not open.
%X-PLOR>-ERR: File result/fold_99_acc.pdb was not open.
%X-PLOR>-ERR: File result/fold_100_acc.pdb was not open.
%X-PLOR>-ERR: File result/fold_101_acc.pdb was not open.
%X-PLOR>-ERR: File result/fold_102_acc.pdb was not open.
%ASSFIL-ERR: no free unit available
%ASSFIL-ERR: Error accessing file
The script looks (for writing strcutures) like:
($filename="result/fold_"+encode($count)+"_acc.pdb")
set print-file=$filename end
write coordinates output =$filename end
set print=OUTPUT end
close $filename end
Hopefully someone can help me.
Regards,
Ramon
