i.e. don't compute ligand charge_sums</span>
<a name="l00476"></a>00476       <a class="code" href="classSimSite3D_1_1ProtLigScore.html">ProtLigScore</a> frag_score(*<a class="code" href="classSimSite3D_1_1ScoreRigidAlignments.html#339bbd1f8e46f0bac4355109e02a5e80">A_query_prot</a>, *(align-&gt;second-&gt;frag_file),
<a name="l00477"></a>00477                               <span class="keyword">true</span>, <span class="keyword">false</span>);
<a name="l00478"></a>00478       align-&gt;second-&gt;set_prot_l