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<section xmlns="http://docbook.org/ns/docbook" version="5.0" xmlns:xlink="http://www.w3.org/1999/xlink" xml:id="_bcrystal_8cpp">
<title>/Users/bernard/b20/bsoft/src/bcrystal.cpp File Reference</title>
<indexterm><primary>/Users/bernard/b20/bsoft/src/bcrystal.cpp</primary></indexterm>
<para>

<para>Calculates coordinates for multiple unit cells. </para>
 
</para>
<programlisting>#include &quot;rwmolecule.h&quot;
#include &quot;mol_symmetry.h&quot;
#include &quot;mol_transform.h&quot;
#include &quot;mol_util.h&quot;
#include &quot;options.h&quot;
#include &quot;utilities.h&quot;
#include &quot;timer.h&quot;
</programlisting><simplesect>
    <title>Functions    </title>
        <itemizedlist>
            <listitem><para>int <link linkend="_bcrystal_8cpp_1a3c04138a5bfe5d72780bb7e82a18e627">main</link> (int argc, char **argv)</para>
</listitem>
        </itemizedlist>
</simplesect>
<simplesect>
    <title>Variables    </title>
        <itemizedlist>
            <listitem><para>int <link linkend="_bcrystal_8cpp_1a0b2caeb4b6f130be43e5a2f0267dd453">verbose</link></para>
</listitem>
            <listitem><para>const char * <link linkend="_bcrystal_8cpp_1a4de0ad4c7190962494815c0fa7f948df">use</link> []</para>
</listitem>
        </itemizedlist>
</simplesect>
<section>
<title>Detailed Description</title>

<para>Calculates coordinates for multiple unit cells. </para>

<para><formalpara><title>Author: </title>

<para>Bernard Heymann </para>
</formalpara>
<formalpara><title>Date: </title>

<para>Created: 20001015 </para>

<para>Modified: 20080225 </para>
</formalpara>
</para>
</section>
<section>
<title>Function Documentation</title>
<anchor xml:id="_bcrystal_8cpp_1a3c04138a5bfe5d72780bb7e82a18e627"/>    <section>
    <title>main()</title>
<indexterm><primary>main</primary><secondary>bcrystal.cpp</secondary></indexterm>
<indexterm><primary>bcrystal.cpp</primary><secondary>main</secondary></indexterm>
<para><computeroutput>int main (int argc, char ** argv)</computeroutput></para><para>
Definition at line 43 of file bcrystal.cpp.</para>
</section>
</section>
<section>
<title>Variable Documentation</title>
<anchor xml:id="_bcrystal_8cpp_1a4de0ad4c7190962494815c0fa7f948df"/>    <section>
    <title>use</title>
<indexterm><primary>use</primary><secondary>bcrystal.cpp</secondary></indexterm>
<indexterm><primary>bcrystal.cpp</primary><secondary>use</secondary></indexterm>
<para><computeroutput>const char* use[]</computeroutput></para><emphasis role="strong">Initial value:</emphasis><programlisting>=&#32;{
<emphasis role="stringliteral">&quot;&#32;&quot;</emphasis>,
<emphasis role="stringliteral">&quot;Usage:&#32;bcrystal&#32;[options]&#32;in.pdb&#32;out.pdb&quot;</emphasis>,
<emphasis role="stringliteral">&quot;----------------------------------------&quot;</emphasis>,
<emphasis role="stringliteral">&quot;Calculates&#32;coordinates&#32;for&#32;multiple&#32;unit&#32;cells.&quot;</emphasis>,
<emphasis role="stringliteral">&quot;&#32;&quot;</emphasis>,
<emphasis role="stringliteral">&quot;Actions:&quot;</emphasis>,
<emphasis role="stringliteral">&quot;-translate&#32;0,-50,22&#32;&#32;&#32;&#32;&#32;&#32;Translate&#32;(angstrom)&quot;</emphasis>,
<emphasis role="stringliteral">&quot;-cells&#32;2,5,3&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;Number&#32;of&#32;unit&#32;cells&#32;in&#32;each&#32;lattice&#32;direction&quot;</emphasis>,
<emphasis role="stringliteral">&quot;&#32;&quot;</emphasis>,
<emphasis role="stringliteral">&quot;Parameters:&quot;</emphasis>,
<emphasis role="stringliteral">&quot;-verbose&#32;7&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;Verbose&#32;output&quot;</emphasis>,
<emphasis role="stringliteral">&quot;-rename&#32;D&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;Rename&#32;molecules&#32;from&#32;the&#32;given&#32;letter.&quot;</emphasis>,
<emphasis role="stringliteral">&quot;-symmetry&#32;1&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;&#32;Space&#32;group&quot;</emphasis>,
<emphasis role="stringliteral">&quot;-unitcell&#32;50,50,50,90,90,90&#32;Unit&#32;cell&#32;parameters&#32;(angstrom&#32;&amp;&#32;degrees)&quot;</emphasis>,
<emphasis role="stringliteral">&quot;&#32;&quot;</emphasis>,
<emphasis role="stringliteral">&quot;Input:&quot;</emphasis>,
<emphasis role="stringliteral">&quot;-parameters&#32;parm.star&#32;&#32;&#32;&#32;Atomic&#32;properties&#32;parameter&#32;file&#32;(default&#32;atom_prop.star)&quot;</emphasis>,
<emphasis role="stringliteral">&quot;&#32;&quot;</emphasis>,
NULL
}
</programlisting><para>
Definition at line 21 of file bcrystal.cpp.</para>
    </section><anchor xml:id="_bcrystal_8cpp_1a0b2caeb4b6f130be43e5a2f0267dd453"/>    <section>
    <title>verbose</title>
<indexterm><primary>verbose</primary><secondary>bcrystal.cpp</secondary></indexterm>
<indexterm><primary>bcrystal.cpp</primary><secondary>verbose</secondary></indexterm>
<para><computeroutput>int verbose</computeroutput></para></section>
</section>
</section>
