I think there is a bug in Sketcher in 6.1.0. Here is what happens when I
run Sketcher with the same file in both 6.0.2 and 6.1.0.
6.0.2 Sketcher:
================
- Select the file again by "File -> Read File -> Read PDB file"
- Press "Yes" to run Libcheck prompt
- Molecule is displayed along with a window containing options to
save various files (Bond file, Geom File, Coord File).
6.1.0 Sketcher:
===============
- Select "File -> Read File -> Read PDB file"
- Press "Yes" to run Libcheck prompt
- Application Error window with the error output below
- Select the file again by "File -> Read File -> Read PDB file"
- Press "Yes" to run Libcheck prompt
- Molecule is displayed along with a blank window
ERROR OUTPUT:
Wrong # args: should be "file join name ?name ...?"
wrong # args: should be "file join name ?name ...?"
while executing
"file join"
("eval" body line 1)
invoked from within
"eval file join [lreplace [file split $path ] end end ] "
(procedure "CheckFileInput" line 124)
invoked from within
"CheckFileInput $arrayname BONDLIST_FILE save "
(procedure "dict_generate_filenames" line 68)
invoked from within
"dict_generate_filenames $arrayname"
(procedure "dictionary_task_window" line 30)
invoked from within
"dictionary_task_window dictionary_PROJECT -iflibcheck 1"
("eval" body line 1)
invoked from within
"eval "$cmd""
(procedure "RunTask" line 109)
invoked from within
"RunTask dictionary -module sketch -args "-iflibcheck $iflibcheck" -def
[SearchPath TOP sketch dictionary.def]"
("PDB" arm line 6)
invoked from within
"switch $format PDB {
if { ![sketch_check_input] } { return 0 }
if { $array(ifpdbin) } {
RunTask dictionary -module sketch -args "-ifli..."
(procedure "sketch_run_dictionary" line 6)
invoked from within
"sketch_run_dictionary $arrayname 1 "
("PDB" arm line 31)
invoked from within
"switch $filetype PDB {
set pdbout [MolReadPDB Mol $file -select $sel_params $nohyd]
set status [lindex $pdbout 0]
if { $status } {
..."
(procedure "sketch_open_file" line 90)
invoked from within
"sketch_open_file sketch_PROJECT PDB"
invoked from within
".sketch.menu.file.m.read invoke active"
("uplevel" body line 1)
invoked from within
"uplevel #0 [list $w invoke active]"
(procedure "tk::MenuInvoke" line 50)
invoked from within
"tk::MenuInvoke .sketch.menu.file.m.read 1"
(command bound to event)
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James M. Vergis, Ph.D.
University of Virginia Molecular Physiology and Biological Physics
MKWEINR 360A Snyder Building
480 Ray C. Hunt Drive
PO Box 800886
Charlottesville, VA 22908-0886
phone: 434-243-2730 FAX: 434-243-8271
[email protected]
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