pan>;
<a name="l00471"></a>00471        
<a name="l00472"></a>00472       <span class="comment">// Note: we are potentially scoring lots of fragments and other junk.</span>
<a name="l00473"></a>00473       <span class="comment">// A decent guess is to keep the same charges as are on the full ligand</span>
<a name="l00474"></a>00474       <span class="comment">// since the groups are likely to be similarly charged in a </span>
<a name="l00475"></a>00475       <span class="comment">// complementary ligand -- 