-----BEGIN PGP SIGNED MESSAGE-----
Hash: SHA1

Hello Ramon--

> 
> When I run a structure refinement, I write outputfiles, either accepted 
> (extension *acc.pdb) or rejected (extension *.pdb).
> out of 197 structures 141 are accepted, and at structure 142, I get the 
> following error message (marked in bold):
> 
>   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
> 
> What is wrong ? Memory problems ? Or is something in the script wrong ?

In the old XPLOR interface, one usually writes coordinate files using
the 
write coor $filename
statement. In you use the 
set print $filenam end
statement, you will need to close the file using 
close $filename
after you're finished writing.

best regards--
Charles
-----BEGIN PGP SIGNATURE-----
Version: GnuPG v1.4.10 (GNU/Linux)
Comment: Processed by Mailcrypt 3.5.8+ <http://mailcrypt.sourceforge.net/>

iEYEARECAAYFAkt38K0ACgkQPK2zrJwS/lZeyACeLCo7azpLoy1gO/x3AfyVKG8g
G0sAnA4nqyNNMnZ/m8Xmce9dYGy+voEs
=y/26
-----END PGP SIGNATURE-----

Reply via email to