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This version contains a configure script that should generate an appropriate
Makefile for your system. Simply enter
./configure
to run it. On some systems it may be necessary to pass one or more options
to it, e.g. to help it locate required libraries or header files, or to force
a GTK1 version even if you also have GTK2 installed. Entering
./configure --help
will provide a list of recognized options.
Specifically for building chemtool in the CYGWIN environment under Windows, one
reportedly needs to run configure as
./configure --x-includes=/usr/X11R6/include --x-libraries=/usr/X11R6/lib \
--with-gtk-prefix=/usr/local --with-gtk-exec-prefix=/usr/local \
--with-x
(the two gtk-related options may need to be adjusted to your setup, or may not
be necessary).
In case the configure script does not work for some reason (please let us know),
or if you simply prefer the conventional method, copy the supplied Makefile.std
(or the appropriate Makefile.sgi if you have an Irix box) to Makefile.
To build Chemtool check the definitions at the top of the Makefile, especially
the directory where the program will be installed, this defaults to
/usr/local/bin. Then enter
make
make install
All versions later than 1.1.8 require the GTK widget library and its
companion Glib, both available from www.gtk.org. If you do not want to
build them yourself from the sourcecode available there, there is a good
chance of finding prebuilt packages for your system in most Linux
distributions or the freeware archives of your commercial unix vendor
(e.g. freeware.sgi.com), respectively.
When building with version 1.2.x of GTK, the stock GTK functions that provide
menues and fileselection dialogs are overridden by enhanced counterparts included
in chemtool. If your system does not allow a binary to use the names of library
functions for its internal functions, you will get error messages (perhaps even
panic messages from the GTK code about NULL pointers to menues) when you try to
open one of the menues in chemtool. In this case, run configure with the
"--enable-stockgtk" option (or remove all references to gtkmenu and gtkfilesel
from the SRCS and OBJS lines in the Makefile) and recompile. Though you will
loose some nice features in chemtool (e.g. no filename masks in the Load menu,
the Babel input menu may extend beyond the screen), the program should then
function normally. As this problem has been observed for AIX and CYGWIN,
configure on these systems selects the stock GTK code in any case.
All output functions except xfig, xbm, sxd and svg depend on the transfig package,
version 3.2.0 or later, available from www-epb.lbl.gov/xfig or www.xfig.org.
Brian Smith's XFig drawing package is highly recommended - it supports all
the things that are missing in Chemtool like general drawing functions and
image import.
For creation of drawings in the .sxd format used by OpenOffice, the fig2sxd
program (fig2sxd.sourceforge.net) is required - chemtool will automatically
detect its availability on startup and will present an SXD option in the Export
menu window.
Chemtool 1.6 and later can detect the presence of the program BABEL - both
Pat Walters' original version, which is probably still available at the
eyesopen.com website, or the more recent OpenBabel effort hosted at
openbabel.sourceforge.net. When either version is available, chemtool provides
another import menu for all foreign file formats supported by it (through an
intermediate MDL molfile). If neither version of babel is installed, chemtool
will still be able to import foreign data from PDB or MDL molfile type files.
If you prefer the old user interface of chemtool-1.3 (two rows of buttons)
to the new menubar, simply remove the -DMENU from the CFLAGS line in the
Makefile.
Recent versions provide rudimentary support for localization, with message
catalogs for Czech, French, German, Netherlands, Polish, Portuguese, and
Russian in addition to the English defaults.
If your system does not support Gnu-style national language support (i.e.
if you do not have a /usr/share/locale hierarchy), you may have to
comment out or remove the LOCALEDIR entry at the top of the Makefile.
(Normally, the configure script should take care of this for you.)
If you want to provide national language support for another language, simply
copy the chemtool.pot file in the "po" directory to YOURLANGUAGE.po,
fill in the empty 'msgstr' fields with the appropriate translations of the
messages in the 'msgid' fields, and then run
'msgfmt -o chemtool.mo YOURLANGUAGE.po'.
(For non-(western)-european languages, it may be necessary to run
'iconv -f YOURISO -t UTF-8 -o YOURLANGUAGE.utf YOURLANGUGE.po'
first (where YOURISO stands for your native encoding, something similar to
ISO-8859-1) and feeding the .utf file to msgfmt.)
Radek Liboskas program CHT - to determine the sum formula and molecular
weight of a molecule in a regular chemtool file - is included in the src-cht
subdirectory. Both the original pascal source and a (partly automatic) C
translation are provided, but the Makefile uses the C version. cht needs
to be compiled separately (cd src-cht; make) and copied somewhere in your
regular search path (e.g. to /usr/local/bin) for chemtool to find it. The
top-level Makefile should normally take care of that.
Please report any bugs you may find to martin@ruby.chemie.uni-freiburg.de
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