class="code" href="classSimSite3D_1_1mol2File.html">mol2File</a>* lig_file, <span class="keyword">const</span> my_float_t* R,
<a name="l00817"></a>00817                   <span class="keyword">const</span> my_float_t* T, <span class="keyword">const</span> uint cnt,
<a name="l00818"></a>00818                   <span class="keyword">const</span> std::string struct_id, <span class="keyword">const</span> std::string output_dir)
<a name="l00819"></a>00819     {
<a name="l00820"></a>00820       lig_file-&gt;<a cl