/usr/share/xcrysden/Tcl/fs/wnReadStruct.tcl is in xcrysden-data 1.5.53-1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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# Author: #
# ------ #
# Anton Kokalj Email: Tone.Kokalj@ijs.si #
# Department of Physical and Organic Chemistry Phone: x 386 1 477 3523 #
# Jozef Stefan Institute Fax: x 386 1 477 3811 #
# Jamova 39, SI-1000 Ljubljana #
# SLOVENIA #
# #
# Source: $XCRYSDEN_TOPDIR/Tcl/wnReadStruct.tcl
# ------ #
# Copyright (c) 1996-2003 by Anton Kokalj #
#############################################################################
proc wnReadStruct filehead {
global system wn geng
cd $wn(dir)
if [catch {exec $system(FORDIR)/str2xcr $filehead}] {
tk_dialog [WidgetName] ERROR \
"ERROR while executing \"str2xcr\" program" \
error 0 OK
}
# now copy $filehead.xcr to $system(SCRDIR)/xc_str2xcr.$$
exec mv ${filehead}.xcr $system(SCRDIR)/xc_str2xcr.$system(PID)
set dirname [file tail $filehead]
exec mkdir $system(SCRDIR)/$dirname
exec cp ${filehead}.struct $system(SCRDIR)/$dirname
cd $system(SCRDIR)
#
# WIEN97 struct file is in BOHRs, thatwhy xc_str2xcr.$$ is in BOHRs
#
set geng(M3_ARGUMENT) [GetGengM3Arg BOHR 95]
xcAppendState wien
set periodic(igroup) 1
xcDebug "Going to GenGeom"
GenGeom $geng(M1_PRIM) $geng(M2_CELL) $geng(M3_ARGUMENT) \
$periodic(igroup) \
1 1 1 $system(SCRDIR)/xc_struc.$system(PID)
xcDebug "Going to xc_readXSF"
################################################
xc_readXSF $system(SCRDIR)/xc_struc.$system(PID)
################################################
}
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