we have a ligand file, determine the ligand fragment in the</span>
<a name="l00388"></a>00388     <span class="comment">// binding site and check if enough ligand atoms are in the fragment</span>
<a name="l00389"></a>00389     <span class="keywordflow">if</span>(lig_file &amp;&amp; (frag_lig_filter || fine_tune_all)){
<a name="l00390"></a>00390       <span class="keywordtype">bool</span> lig_has_enough_atoms =
<a name="l00391"></a>00391         get_ligand_fragment(*lig_file, A_model-&gt;site_volume_estimate