00824"></a>00824             &lt;&lt; std::setfill(<span class="charliteral">'0'</span>) &lt;&lt; std::setw(5) &lt;&lt; cnt &lt;&lt; <span class="stringliteral">"_l.mol2"</span>;
<a name="l00825"></a>00825       lig_file-&gt;<a class="code" href="classSimSite3D_1_1mol2File.html#050d5348e9f9a59de0949a66acab96de">write</a>(fname.str());
<a name="l00826"></a>00826       <span class="keywordflow">if</span>(frag_file){
<a name="l00827"></a>00827         fname.str(<span class="stringliteral">""</span>);
<a name="