Error when reading .c file

Tcl-ChemShell
1

Hi everyone,

I’ve been encountering some problems when running Tcl-ChemShell. We’ve been using this software for many years without any major issues, and we need to finish some work with this version. However, it’s currently having trouble reading a .c file.

Despite my efforts to debug, I can’t pinpoint the error. The .c file (coming from .pdb file) is the key point on the error.

Here is the error message I’m receiving:

error occured in user routine while reading coordinates
 Abandoning Read
0
    while executing
"W_copy_object from=open_hf_38_solv.c to=dl-find.coo type=fragment"
    ("eval" body line 1)
    invoked from within
"eval W_copy_object $args "
    (procedure "copy_object" line 1)
    invoked from within
"copy_object from=$coords to=$tmp_coords type=fragment"
    (procedure "dl-find" line 76)
    invoked from within
"dl-find coords=${c_file} \
        result=${sys_name_id}.c \
        residues= $pdbresidues \
        coordinates= hdlc \
        optimizer= lbfgs \
 ..."

Has anyone experienced similar issues or have any suggestions on how to resolve this? Any help would be greatly appreciated!

Thanks in advance for your support.

Álex Pérez Sánchez
Universitat Autònoma de Barcelona
MolBioMed Research Group