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<title>User manual for LigBuilder v1.2</title>
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<h2 align="center">How to install LigBuilder?</h2>
<hr>
<p> LigBuilder is written in C++ language and
has been tested on UNIX and LINUX platforms.</p>
<p> To compile LigBuilder, first you need to
decrypt the package. You can do this in a UNIX shell like this:</p>
<p align="left"><font color="#FF0000" size="4">
</font><font color="#FF0000" size="3">crypt the_key <
LigBuilder.tar.Z.en > LigBuilder.tar.Z</font></p>
<p align="left"><font color="#000000"> Then,
uncompress the package:</font></p>
<p align="left"><font color="#FF0000" size="4">
</font><font color="#FF0000" size="3">uncompress
LigBuilder.tar.Z</font></p>
<p><font color="#000000"> The third step is to
unpack the package:</font></p>
<p align="left"><font color="#FF0000" size="4"> </font><font
color="#FF0000" size="3"> tar xvf LigBuilder.tar</font></p>
<p><font color="#000000"> Now a directory named
"</font><font color="#0000FF">LigBuilder1.2</font><font
color="#000000">" has been created in your working
directory. Under that directory, there are following
subdirectories: </font></p>
<ul>
<li><font size="2" face="Courier New">bin/
default working directory</font></li>
<li><font size="2" face="Courier New">pocket/
source codes of POCKET module</font></li>
<li><font size="2" face="Courier New">grow/
source codes of GROW module </font></li>
<li><font size="2" face="Courier New">link/
source
codes of LINK module </font></li>
<li><font size="2" face="Courier New">process/
source
codes of PROCESS module </font></li>
<li><font size="2" face="Courier New">parameter/
necessary parameters</font></li>
<li><font size="2" face="Courier New">example/
test
examples</font></li>
<li><font size="2" face="Courier New">manual/
user
manual in HTML</font></li>
<li><font size="2" face="Courier New">fragment.mdb/
building-block fragment library</font></li>
<li><font size="2" face="Courier New">forbidden.mdb/
forbidden substructure library</font></li>
<li><font size="2" face="Courier New">toxicity.mdb/
toxic substructure library</font></li>
</ul>
<p> LigBuilder has four main modules, i.e.
POCKET, GROW, LINK, and PROCESS. You need to compile them
respectively. You can do this by simply entering each
subdirectory, i.e. "<font color="#0000FF">pocket/</font>",
"<font color="#0000FF">grow/</font>", "<font
color="#0000FF">link/</font>", and "<font
color="#0000FF">process/</font>", and typing "<font
color="#FF0000">make</font>" to run the <font
color="#0000FF">Makefile</font> scripts. <font color="#000000">The
scripts will compile the source codes automatically and generate
the executable codes.</font> This can be described as:</p>
<p> To compile POCKET: </p>
<p> cd pocket/<br>
make<br>
cp pocket
../bin</p>
<p> To compile GROW:</p>
<p> cd grow/<br>
make<br>
cp grow
../bin</p>
<p> To compile LINK:</p>
<p> cd link/<br>
make<br>
cp link
../bin</p>
<p> To compile PROCESS:</p>
<p> cd process/<br>
make<br>
cp process
../bin</p>
<p> Please notice:</p>
<p> (1) As indicated above, we suggest you to
copy all the resultant executable codes, i.e. "<font
color="#0000FF">pocket</font>", "<font color="#0000FF">grow</font>",
"<font color="#0000FF">link</font>", and "<font
color="#0000FF">process</font>" to another directory. So you
will not spoil the source codes by accident. </p>
<p> (2) <font color="#000000">The default C++
compiler assigned in the Makefile script is SGI "</font><font
color="#0000FF">CC</font><font color="#000000">" compiler.
Therefore, if you are using a different C++ compiler on your
computer, for example "</font><font color="#0000FF">g++</font><font
color="#000000">", you should modify the first line in
the "</font><font color="#0000FF">Makefile</font><font
color="#000000">" scripts as "</font><font
color="#0000FF">CC = g++</font><font color="#000000">"
before compiling. </font></p>
<p> (3) What if you do not have any C++
compiler on your computer? We have provided pre-compiled
executable codes in the directory "<font color="#0000FF">bin</font>".
They are compiled on SGI O2/R10000 workstation running IRIX6.4.
So if you also use the same kind of computer, you will have a
good chance to run LigBuilder without compiling.</p>
<p> (4) For PC users, we have stopped providing
executable codes for DOS platforms since LINUX has become such
popular. LigBuilder has been tested on LINUX platforms.</p>
<hr>
<p align="center"><a href="index.html">[Content]</a> <a
href="intro.html">[Introduction]</a> <a href="download.html">[Download]</a>
[Install] <a href="overview.html">[Overview]</a> <a
href="pocket.html">[POCKET]</a> <a href="grow.html">[GROW]</a> <a
href="link.html">[LINK]</a> <a href="process.html">[PROCESS]</a> <a
href="skill.html">[Skills]</a> <a href="faq.html">[FAQs]</a></p>
<p align="center"><font size="2"><em>(These web pages are edited
by Dr. Renxiao Wang. Latest update: August, 2000)</em></font></p>
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