/usr/share/viewmol/writemol is in viewmol 2.4.1-24+b1.
This file is owned by root:root, with mode 0o755.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 | #! /bin/sh
#*******************************************************************************
# *
# Viewmol *
# *
# W R I T E M O L *
# *
# Copyright (c) Joerg-R. Hill, October 2003 *
# *
#*******************************************************************************
#
# $Id: writemol,v 1.5 2003/11/07 12:59:02 jrh Exp $
# $Log: writemol,v $
# Revision 1.5 2003/11/07 12:59:02 jrh
# Release 2.4
#
# Revision 1.4 2000/12/10 15:19:19 jrh
# Release 2.3
#
# Revision 1.3 1999/05/24 01:28:03 jrh
# Release 2.2.1
#
# Revision 1.2 1999/02/07 22:00:12 jrh
# Release 2.2
#
# Revision 1.1 1998/01/26 00:35:31 jrh
# Initial revision
#
#
case `uname -s` in
SunOS*) AWK=nawk
;;
IRIX*) AWK=nawk
;;
*) AWK=awk
;;
esac
export LANG="C"
cat | $AWK '/^\$/ {readcoord=0;
readbonds=0;}
{if (readcoord == 1)
{
x[na]=$1*0.52917706;
y[na]=$2*0.52917706;
z[na]=$3*0.52917706;
symbol[na++]=$4;
}
if (readbonds == 1)
{
atom1[nb]=$1;
atom2[nb]=$2;
order[nb++]=$3;
}
}
/^\$coord/ {readcoord=1;
printf("\n Viewmol ");
system("date +%m%d%y%H%M");
printf("\n");
na=0;
}
/^\$bonds/ {readbonds=1;
nb=0;
}
END {
printf("%3d%3d 0 0 0 0 0 0 0 0 1 V2000\n", na, nb);
for (i=0; i<na; i++)
printf("%10.4f%10.4f%10.4f %-3s 0 0 0 0 0 0 0 0 0 0 0 0
\n", x[i], y[i], z[i], symbol[i]);
for (i=0; i<nb; i++)
printf("%3d%3d%3d 0 0 0 0\n", atom1[i], atom2[i], order[i] > 0 ? order[i] : 1);
printf("M END\n");
}' > "$1"
|