l00828"></a>00828         fname &lt;&lt; output_dir + <span class="stringliteral">"/ligand_fragments/"</span> + struct_id &lt;&lt; <span class="stringliteral">"_"</span>
<a name="l00829"></a>00829               &lt;&lt; std::setfill(<span class="charliteral">'0'</span>) &lt;&lt; std::setw(5) &lt;&lt; cnt &lt;&lt; <span class="stringliteral">"_f.mol2"</span>;
<a name="l00830"></a>00830         frag_file-&gt;<a class="code" href="classSimSite3D_1_1mol2File.html#050d5348e9f9a59de0949a66acab96de">write</a>(fnam