3 <span class="comment">##</span>
<a name="l00024"></a>00024 <span class="comment">##              a - The pocket is defined as all atoms contacted by</span>
<a name="l00025"></a>00025 <span class="comment">##              alpha spheres situated a distance lower or equal that</span>
<a name="l00026"></a>00026 <span class="comment">##              D (defined by the user or 4.0 by default in dparams.h)</span>
<a name="l00027"></a>00027 <span class="comment">##              of each ligand's atoms. </span>
<a n