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<h1>s_desc Struct Reference</h1><!-- doxytag: class="s_desc" --><code>#include &lt;<a class="el" href="descriptors_8h-source.html">descriptors.h</a>&gt;</code>
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<tr><td colspan="2"><br><h2>Data Fields</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#ec451be95312187f418e20b87ebc0c1c">hydrophobicity_score</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#0bf245c3d85f2fc8dec41d560313588a">volume_score</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#ec106f2a35f5676a6af920311aa4260e">volume</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#6363a7adfb5bc485f3524b8d4f0b5326">prop_polar_atm</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#6e455ee4a61943b81a09fb9c4a816967">mean_asph_ray</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#8d8c1b492a8f07602c496ffe907a7135">masph_sacc</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#1e842880419a0616060301b4eacf858f">apolar_asphere_prop</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#b48b3533d79c147285ca50eabc12ef63">mean_loc_hyd_dens</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#2aeb19cfc5f53e2d22f1a2065ede1010">as_density</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#6620d6b2cdaaa469b32a66a5e5260a80">as_max_dst</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#537c647e77f9ca129c77b31e3d15b2ca">flex</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#8c4599be9319ff05ecf42dd6c70d0d6d">nas_norm</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#15f213905d46949ade4dc9ec9e413d4f">polarity_score_norm</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#3a111a68d68713a0c9b2d5e904951820">mean_loc_hyd_dens_norm</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#a18101e18ed5d1714470a026621037f3">prop_asapol_norm</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#a97dfcc5ad6152e55ef0ebe9985cce5c">as_density_norm</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#9a9c0a666cb104843a278525e556087a">as_max_dst_norm</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#a179ebac9b5489ad1bf1ad267d1d0427">surf_vdw</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#46c2b1ee640b31802839e88bb91f3aac">surf_vdw14</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#8d64efb827570330fb20cac0a48507f3">surf_vdw22</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#b7799be0c2ecba2a04248d70df6b8795">surf_pol_vdw</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#b427b3ce5e431f0ca3e3df5c659f2de0">surf_pol_vdw14</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#090bbaf1b3d709e7575ab400ce1848a1">surf_pol_vdw22</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#0bfdf7a2147f074d6977a4ee31f95046">surf_apol_vdw</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#7ce0d0f8a0e977c3f5ecbd1a64ec02c7">surf_apol_vdw14</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#30adaa999c80fb0f9c3e357730ab5c3c">surf_apol_vdw22</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#12f239c0748ce08dba80fac61722117f">aa_compo</a> [20]</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#d481d25ff964a6858975b5abfb671412">nb_asph</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#d612b029bba06646381771d4b61dc5e6">polarity_score</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#00da80b684d1bb1af13ec779e282c7e0">charge_score</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#eb15aebab64687c1c18d261e40b96901">as_max_r</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">float&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#27317d1ebeb59e4ea4ebdbca11069c3c">drug_score</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#bced97f35d6447d67d3dda6b09039a86">interChain</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#8e7dd8b06d5e732c055f5c2a46279f00">characterChain1</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#c18283db8c6ebb14a806f3fd73b41b5e">characterChain2</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#1d09eefd576e05f70a489363575f32aa">numResChain1</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#bcbc3f48a90c23ac7678804a411abd90">numResChain2</a></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">char&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#ba87f099c4cb32f55ae66977b9cdb8e4">nameChain1</a> [2]</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">char&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#686ea7cc191da8c6ab8e8d7178a9a5ea">nameChain2</a> [2]</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">char&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#20bd4d9024f38edb2a79b721ff4558c8">ligTag</a> [8]</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__desc.html#15d78f3262dcfa80bfba6c1872c51f6e">n_abpa</a></td></tr>
</table>
<hr><a name="_details"></a><h2>Detailed Description</h2>
Structure containing descriptors for binding pockets
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00056">56</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<hr><h2>Field Documentation</h2>
<a class="anchor" name="ec451be95312187f418e20b87ebc0c1c"></a><!-- doxytag: member="s_desc::hydrophobicity_score" ref="ec451be95312187f418e20b87ebc0c1c" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#ec451be95312187f418e20b87ebc0c1c">s_desc::hydrophobicity_score</a> </td>
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<p>
Hydropathie score - for each aa
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="pscoring_8c-source.html#l00277">drug_score_pocket()</a>, <a class="el" href="pocket_8c-source.html#l01490">print_pocket()</a>, <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="descriptors_8c-source.html#l00469">set_aa_desc()</a>, <a class="el" href="descriptors_8c-source.html#l00373">set_atom_based_descriptors()</a>, <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00435">write_pocket_pqr()</a>.</p>
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<a class="anchor" name="0bf245c3d85f2fc8dec41d560313588a"></a><!-- doxytag: member="s_desc::volume_score" ref="0bf245c3d85f2fc8dec41d560313588a" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#0bf245c3d85f2fc8dec41d560313588a">s_desc::volume_score</a> </td>
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<p>
Volume score - for each aa
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="pocket_8c-source.html#l01490">print_pocket()</a>, <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="descriptors_8c-source.html#l00469">set_aa_desc()</a>, <a class="el" href="descriptors_8c-source.html#l00373">set_atom_based_descriptors()</a>, <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00435">write_pocket_pqr()</a>.</p>
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<a class="anchor" name="ec106f2a35f5676a6af920311aa4260e"></a><!-- doxytag: member="s_desc::volume" ref="ec106f2a35f5676a6af920311aa4260e" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#ec106f2a35f5676a6af920311aa4260e">s_desc::volume</a> </td>
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<p>
Pocket volume
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="tpocket_8c-source.html#l00661">check_pockets()</a>, <a class="el" href="psorting_8c-source.html#l00229">compare_pockets_volume()</a>, <a class="el" href="pocket_8c-source.html#l01490">print_pocket()</a>, <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="tpocket_8c-source.html#l01047">set_basic_overlap_volume()</a>, <a class="el" href="descriptors_8c-source.html#l00182">set_descriptors()</a>, <a class="el" href="tpocket_8c-source.html#l00924">set_mc_overlap_volume()</a>, <a class="el" href="pocket_8c-source.html#l00320">set_pocket_mtvolume()</a>, <a class="el" href="pocket_8c-source.html#l00411">set_pocket_volume()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00435">write_pocket_pqr()</a>.</p>
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<a class="anchor" name="6363a7adfb5bc485f3524b8d4f0b5326"></a><!-- doxytag: member="s_desc::prop_polar_atm" ref="6363a7adfb5bc485f3524b8d4f0b5326" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#6363a7adfb5bc485f3524b8d4f0b5326">s_desc::prop_polar_atm</a> </td>
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<p>
Proportion of polar atoms
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, and <a class="el" href="descriptors_8c-source.html#l00373">set_atom_based_descriptors()</a>.</p>
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<a class="anchor" name="6e455ee4a61943b81a09fb9c4a816967"></a><!-- doxytag: member="s_desc::mean_asph_ray" ref="6e455ee4a61943b81a09fb9c4a816967" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#6e455ee4a61943b81a09fb9c4a816967">s_desc::mean_asph_ray</a> </td>
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<p>
Mean alpha sphere radius
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="pocket_8c-source.html#l01490">print_pocket()</a>, <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="descriptors_8c-source.html#l00182">set_descriptors()</a>, <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00435">write_pocket_pqr()</a>.</p>
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<a class="anchor" name="8d8c1b492a8f07602c496ffe907a7135"></a><!-- doxytag: member="s_desc::masph_sacc" ref="8d8c1b492a8f07602c496ffe907a7135" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#8d8c1b492a8f07602c496ffe907a7135">s_desc::masph_sacc</a> </td>
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<p>
Mean alpha sphere solvent accessibility
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="pocket_8c-source.html#l01490">print_pocket()</a>, <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="descriptors_8c-source.html#l00182">set_descriptors()</a>, <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00435">write_pocket_pqr()</a>.</p>
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<a class="anchor" name="1e842880419a0616060301b4eacf858f"></a><!-- doxytag: member="s_desc::apolar_asphere_prop" ref="1e842880419a0616060301b4eacf858f" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#1e842880419a0616060301b4eacf858f">s_desc::apolar_asphere_prop</a> </td>
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<p>
Proportion of apolar alpha spheres
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="descriptors_8c-source.html#l00182">set_descriptors()</a>, <a class="el" href="pocket_8c-source.html#l00668">set_normalized_descriptors()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00435">write_pocket_pqr()</a>.</p>
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<a class="anchor" name="b48b3533d79c147285ca50eabc12ef63"></a><!-- doxytag: member="s_desc::mean_loc_hyd_dens" ref="b48b3533d79c147285ca50eabc12ef63" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#b48b3533d79c147285ca50eabc12ef63">s_desc::mean_loc_hyd_dens</a> </td>
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<p>
Mean local hydrophobic density (from alpha spheres)
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="pocket_8c-source.html#l01490">print_pocket()</a>, <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="descriptors_8c-source.html#l00182">set_descriptors()</a>, <a class="el" href="pocket_8c-source.html#l00668">set_normalized_descriptors()</a>, <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00435">write_pocket_pqr()</a>.</p>
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<a class="anchor" name="2aeb19cfc5f53e2d22f1a2065ede1010"></a><!-- doxytag: member="s_desc::as_density" ref="2aeb19cfc5f53e2d22f1a2065ede1010" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#2aeb19cfc5f53e2d22f1a2065ede1010">s_desc::as_density</a> </td>
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<p>
Pocket density, defined as mean distance between alpha spheres
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="cluster_8c-source.html#l00070">pck_final_clust()</a>, <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="pscoring_8c-source.html#l00074">score_pocket()</a>, <a class="el" href="descriptors_8c-source.html#l00182">set_descriptors()</a>, and <a class="el" href="pocket_8c-source.html#l00668">set_normalized_descriptors()</a>.</p>
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<a class="anchor" name="6620d6b2cdaaa469b32a66a5e5260a80"></a><!-- doxytag: member="s_desc::as_max_dst" ref="6620d6b2cdaaa469b32a66a5e5260a80" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#6620d6b2cdaaa469b32a66a5e5260a80">s_desc::as_max_dst</a> </td>
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<p>
Maximum distance between two alpha spheres The following descriptors are all normalized using observed values among all pocket found by the algorithm. These are not set in descriptor.c, but in <a class="el" href="pocket_8c.html">pocket.c</a> as we have to check all pocket first to store boundaries of the descriptor to normalize.
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="descriptors_8c-source.html#l00182">set_descriptors()</a>, and <a class="el" href="pocket_8c-source.html#l00668">set_normalized_descriptors()</a>.</p>
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<a class="anchor" name="537c647e77f9ca129c77b31e3d15b2ca"></a><!-- doxytag: member="s_desc::flex" ref="537c647e77f9ca129c77b31e3d15b2ca" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#537c647e77f9ca129c77b31e3d15b2ca">s_desc::flex</a> </td>
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<p>
Normalized flexibility - based on B factors - ABUSIVE
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="pocket_8c-source.html#l01490">print_pocket()</a>, <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="descriptors_8c-source.html#l00373">set_atom_based_descriptors()</a>, <a class="el" href="pocket_8c-source.html#l00668">set_normalized_descriptors()</a>, <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00435">write_pocket_pqr()</a>.</p>
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<a class="anchor" name="8c4599be9319ff05ecf42dd6c70d0d6d"></a><!-- doxytag: member="s_desc::nas_norm" ref="8c4599be9319ff05ecf42dd6c70d0d6d" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#8c4599be9319ff05ecf42dd6c70d0d6d">s_desc::nas_norm</a> </td>
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<p>
Normalized number of alpha sphere
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="pscoring_8c-source.html#l00074">score_pocket()</a>, and <a class="el" href="pocket_8c-source.html#l00668">set_normalized_descriptors()</a>.</p>
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<a class="anchor" name="15f213905d46949ade4dc9ec9e413d4f"></a><!-- doxytag: member="s_desc::polarity_score_norm" ref="15f213905d46949ade4dc9ec9e413d4f" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#15f213905d46949ade4dc9ec9e413d4f">s_desc::polarity_score_norm</a> </td>
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<p>
Normalized polarity score
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="pscoring_8c-source.html#l00277">drug_score_pocket()</a>, <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, and <a class="el" href="pocket_8c-source.html#l00668">set_normalized_descriptors()</a>.</p>
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<a class="anchor" name="3a111a68d68713a0c9b2d5e904951820"></a><!-- doxytag: member="s_desc::mean_loc_hyd_dens_norm" ref="3a111a68d68713a0c9b2d5e904951820" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#3a111a68d68713a0c9b2d5e904951820">s_desc::mean_loc_hyd_dens_norm</a> </td>
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<p>
Normalized mean local hydrophobic density
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="pscoring_8c-source.html#l00277">drug_score_pocket()</a>, <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="pscoring_8c-source.html#l00074">score_pocket()</a>, and <a class="el" href="pocket_8c-source.html#l00668">set_normalized_descriptors()</a>.</p>
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<a class="anchor" name="a18101e18ed5d1714470a026621037f3"></a><!-- doxytag: member="s_desc::prop_asapol_norm" ref="a18101e18ed5d1714470a026621037f3" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#a18101e18ed5d1714470a026621037f3">s_desc::prop_asapol_norm</a> </td>
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<p>
Normalized proportion of apolar alphasphere
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="pscoring_8c-source.html#l00074">score_pocket()</a>, and <a class="el" href="pocket_8c-source.html#l00668">set_normalized_descriptors()</a>.</p>
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<a class="anchor" name="a97dfcc5ad6152e55ef0ebe9985cce5c"></a><!-- doxytag: member="s_desc::as_density_norm" ref="a97dfcc5ad6152e55ef0ebe9985cce5c" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#a97dfcc5ad6152e55ef0ebe9985cce5c">s_desc::as_density_norm</a> </td>
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<p>
Normalized alpha sphere density
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, and <a class="el" href="pocket_8c-source.html#l00668">set_normalized_descriptors()</a>.</p>
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<a class="anchor" name="9a9c0a666cb104843a278525e556087a"></a><!-- doxytag: member="s_desc::as_max_dst_norm" ref="9a9c0a666cb104843a278525e556087a" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#9a9c0a666cb104843a278525e556087a">s_desc::as_max_dst_norm</a> </td>
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<p>
normalized maximum distance between alpha sphere centers The following descriptors are various surface calculations
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, and <a class="el" href="pocket_8c-source.html#l00668">set_normalized_descriptors()</a>.</p>
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<a class="anchor" name="a179ebac9b5489ad1bf1ad267d1d0427"></a><!-- doxytag: member="s_desc::surf_vdw" ref="a179ebac9b5489ad1bf1ad267d1d0427" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#a179ebac9b5489ad1bf1ad267d1d0427">s_desc::surf_vdw</a> </td>
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<p>
Van der Waals surface of the pocket
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>.</p>
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<a class="anchor" name="46c2b1ee640b31802839e88bb91f3aac"></a><!-- doxytag: member="s_desc::surf_vdw14" ref="46c2b1ee640b31802839e88bb91f3aac" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#46c2b1ee640b31802839e88bb91f3aac">s_desc::surf_vdw14</a> </td>
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<p>
Van der Waals surface + 1.4 A probe
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, and <a class="el" href="asa_8c-source.html#l00267">set_ASA()</a>.</p>
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<a class="anchor" name="8d64efb827570330fb20cac0a48507f3"></a><!-- doxytag: member="s_desc::surf_vdw22" ref="8d64efb827570330fb20cac0a48507f3" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#8d64efb827570330fb20cac0a48507f3">s_desc::surf_vdw22</a> </td>
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Van der Waals surface + 2.2 A probe
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, and <a class="el" href="asa_8c-source.html#l00267">set_ASA()</a>.</p>
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<a class="anchor" name="b7799be0c2ecba2a04248d70df6b8795"></a><!-- doxytag: member="s_desc::surf_pol_vdw" ref="b7799be0c2ecba2a04248d70df6b8795" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#b7799be0c2ecba2a04248d70df6b8795">s_desc::surf_pol_vdw</a> </td>
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polar van der Waals surface of the pocket
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>.</p>
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<a class="anchor" name="b427b3ce5e431f0ca3e3df5c659f2de0"></a><!-- doxytag: member="s_desc::surf_pol_vdw14" ref="b427b3ce5e431f0ca3e3df5c659f2de0" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#b427b3ce5e431f0ca3e3df5c659f2de0">s_desc::surf_pol_vdw14</a> </td>
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polar van der Waals surface + 1.4 A probe
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="asa_8c-source.html#l00267">set_ASA()</a>, and <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>.</p>
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<a class="anchor" name="090bbaf1b3d709e7575ab400ce1848a1"></a><!-- doxytag: member="s_desc::surf_pol_vdw22" ref="090bbaf1b3d709e7575ab400ce1848a1" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#090bbaf1b3d709e7575ab400ce1848a1">s_desc::surf_pol_vdw22</a> </td>
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polar an der Waals surface + 2.2 A probe
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="asa_8c-source.html#l00267">set_ASA()</a>, and <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>.</p>
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<a class="anchor" name="0bfdf7a2147f074d6977a4ee31f95046"></a><!-- doxytag: member="s_desc::surf_apol_vdw" ref="0bfdf7a2147f074d6977a4ee31f95046" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#0bfdf7a2147f074d6977a4ee31f95046">s_desc::surf_apol_vdw</a> </td>
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polar van der Waals surface of the pocket
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>.</p>
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<a class="anchor" name="7ce0d0f8a0e977c3f5ecbd1a64ec02c7"></a><!-- doxytag: member="s_desc::surf_apol_vdw14" ref="7ce0d0f8a0e977c3f5ecbd1a64ec02c7" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#7ce0d0f8a0e977c3f5ecbd1a64ec02c7">s_desc::surf_apol_vdw14</a> </td>
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polar van der Waals surface + 1.4 A probe
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="asa_8c-source.html#l00267">set_ASA()</a>, and <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>.</p>
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<a class="anchor" name="30adaa999c80fb0f9c3e357730ab5c3c"></a><!-- doxytag: member="s_desc::surf_apol_vdw22" ref="30adaa999c80fb0f9c3e357730ab5c3c" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#30adaa999c80fb0f9c3e357730ab5c3c">s_desc::surf_apol_vdw22</a> </td>
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&lt; polar van der Waals surface + 2.2 A probe
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00058">58</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="asa_8c-source.html#l00267">set_ASA()</a>, and <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>.</p>
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<a class="anchor" name="12f239c0748ce08dba80fac61722117f"></a><!-- doxytag: member="s_desc::aa_compo" ref="12f239c0748ce08dba80fac61722117f" args="[20]" -->
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<td class="memname">int <a class="el" href="structs__desc.html#12f239c0748ce08dba80fac61722117f">s_desc::aa_compo</a>[20] </td>
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Absolute amino acid composition
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00094">94</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="pocket_8c-source.html#l01490">print_pocket()</a>, <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="descriptors_8c-source.html#l00469">set_aa_desc()</a>, <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>, <a class="el" href="mdpocket_8c-source.html#l00313">write_md_descriptors()</a>, and <a class="el" href="dpocket_8c-source.html#l00403">write_pocket_desc()</a>.</p>
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<td class="memname">int <a class="el" href="structs__desc.html#d481d25ff964a6858975b5abfb671412">s_desc::nb_asph</a> </td>
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<p>
Number of alpha spheres
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00095">95</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="psorting_8c-source.html#l00206">compare_pockets_nasph()</a>, <a class="el" href="cluster_8c-source.html#l00070">pck_final_clust()</a>, <a class="el" href="pocket_8c-source.html#l01490">print_pocket()</a>, <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="descriptors_8c-source.html#l00182">set_descriptors()</a>, <a class="el" href="pocket_8c-source.html#l00668">set_normalized_descriptors()</a>, <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00435">write_pocket_pqr()</a>.</p>
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<a class="anchor" name="d612b029bba06646381771d4b61dc5e6"></a><!-- doxytag: member="s_desc::polarity_score" ref="d612b029bba06646381771d4b61dc5e6" args="" -->
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<td class="memname">int <a class="el" href="structs__desc.html#d612b029bba06646381771d4b61dc5e6">s_desc::polarity_score</a> </td>
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<p>
Polarity score (based on amino acids properties ; see <a class="el" href="aa_8c.html">aa.c</a> &amp; <a class="el" href="aa_8h.html">aa.h</a>)
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00095">95</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="pocket_8c-source.html#l01490">print_pocket()</a>, <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="pscoring_8c-source.html#l00074">score_pocket()</a>, <a class="el" href="descriptors_8c-source.html#l00469">set_aa_desc()</a>, <a class="el" href="pocket_8c-source.html#l00668">set_normalized_descriptors()</a>, <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00435">write_pocket_pqr()</a>.</p>
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<a class="anchor" name="00da80b684d1bb1af13ec779e282c7e0"></a><!-- doxytag: member="s_desc::charge_score" ref="00da80b684d1bb1af13ec779e282c7e0" args="" -->
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<td class="memname">int <a class="el" href="structs__desc.html#00da80b684d1bb1af13ec779e282c7e0">s_desc::charge_score</a> </td>
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<p>
Sum of all net charges at pH = 7 (see <a class="el" href="aa_8c.html">aa.c</a> &amp; <a class="el" href="aa_8h.html">aa.h</a>)
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00095">95</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="pocket_8c-source.html#l01490">print_pocket()</a>, <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="descriptors_8c-source.html#l00469">set_aa_desc()</a>, <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00435">write_pocket_pqr()</a>.</p>
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<a class="anchor" name="eb15aebab64687c1c18d261e40b96901"></a><!-- doxytag: member="s_desc::as_max_r" ref="eb15aebab64687c1c18d261e40b96901" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#eb15aebab64687c1c18d261e40b96901">s_desc::as_max_r</a> </td>
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<p>
Alpha sphere maximum radius
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00098">98</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00182">set_descriptors()</a>.</p>
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<a class="anchor" name="27317d1ebeb59e4ea4ebdbca11069c3c"></a><!-- doxytag: member="s_desc::drug_score" ref="27317d1ebeb59e4ea4ebdbca11069c3c" args="" -->
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<td class="memname">float <a class="el" href="structs__desc.html#27317d1ebeb59e4ea4ebdbca11069c3c">s_desc::drug_score</a> </td>
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<p>
Drug score of the binding site
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00099">99</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="mdpbase_8c-source.html#l00104">calculate_md_dens_grid()</a>, <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="pocket_8c-source.html#l00582">set_pockets_descriptors()</a>, <a class="el" href="mdpbase_8c-source.html#l00184">update_md_grid()</a>, <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00435">write_pocket_pqr()</a>.</p>
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<a class="anchor" name="bced97f35d6447d67d3dda6b09039a86"></a><!-- doxytag: member="s_desc::interChain" ref="bced97f35d6447d67d3dda6b09039a86" args="" -->
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<td class="memname">int <a class="el" href="structs__desc.html#bced97f35d6447d67d3dda6b09039a86">s_desc::interChain</a> </td>
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<p>
0 if pocket in single chain, 1 if between 2 chains
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00100">100</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00373">set_atom_based_descriptors()</a>, and <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>.</p>
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<a class="anchor" name="8e7dd8b06d5e732c055f5c2a46279f00"></a><!-- doxytag: member="s_desc::characterChain1" ref="8e7dd8b06d5e732c055f5c2a46279f00" args="" -->
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<td class="memname">int <a class="el" href="structs__desc.html#8e7dd8b06d5e732c055f5c2a46279f00">s_desc::characterChain1</a> </td>
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<p>
0 if protein, 1 if nucl acid pocket, 2 if HETATM pocket
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00100">100</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="descriptors_8c-source.html#l00373">set_atom_based_descriptors()</a>, and <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>.</p>
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<a class="anchor" name="c18283db8c6ebb14a806f3fd73b41b5e"></a><!-- doxytag: member="s_desc::characterChain2" ref="c18283db8c6ebb14a806f3fd73b41b5e" args="" -->
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<td class="memname">int <a class="el" href="structs__desc.html#c18283db8c6ebb14a806f3fd73b41b5e">s_desc::characterChain2</a> </td>
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0 if protein, 1 if nucl acid pocket, 2 if HETATM pocket
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00100">100</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="descriptors_8c-source.html#l00373">set_atom_based_descriptors()</a>, and <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>.</p>
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<a class="anchor" name="1d09eefd576e05f70a489363575f32aa"></a><!-- doxytag: member="s_desc::numResChain1" ref="1d09eefd576e05f70a489363575f32aa" args="" -->
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<td class="memname">int <a class="el" href="structs__desc.html#1d09eefd576e05f70a489363575f32aa">s_desc::numResChain1</a> </td>
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<p>
number of resdiues on chain 1
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00100">100</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="descriptors_8c-source.html#l00373">set_atom_based_descriptors()</a>, and <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>.</p>
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<a class="anchor" name="bcbc3f48a90c23ac7678804a411abd90"></a><!-- doxytag: member="s_desc::numResChain2" ref="bcbc3f48a90c23ac7678804a411abd90" args="" -->
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<td class="memname">int <a class="el" href="structs__desc.html#bcbc3f48a90c23ac7678804a411abd90">s_desc::numResChain2</a> </td>
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<p>
number of res on chain 2
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00100">100</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00108">reset_desc()</a>, <a class="el" href="descriptors_8c-source.html#l00373">set_atom_based_descriptors()</a>, and <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>.</p>
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<a class="anchor" name="ba87f099c4cb32f55ae66977b9cdb8e4"></a><!-- doxytag: member="s_desc::nameChain1" ref="ba87f099c4cb32f55ae66977b9cdb8e4" args="[2]" -->
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<td class="memname">char <a class="el" href="structs__desc.html#ba87f099c4cb32f55ae66977b9cdb8e4">s_desc::nameChain1</a>[2] </td>
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<p>
name of the first chain in contact with the pocket
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00105">105</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00373">set_atom_based_descriptors()</a>, and <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>.</p>
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<a class="anchor" name="686ea7cc191da8c6ab8e8d7178a9a5ea"></a><!-- doxytag: member="s_desc::nameChain2" ref="686ea7cc191da8c6ab8e8d7178a9a5ea" args="[2]" -->
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<td class="memname">char <a class="el" href="structs__desc.html#686ea7cc191da8c6ab8e8d7178a9a5ea">s_desc::nameChain2</a>[2] </td>
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<p>
name of the second chain in contact with the pocket, if there is
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00105">105</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00373">set_atom_based_descriptors()</a>, and <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>.</p>
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<a class="anchor" name="20bd4d9024f38edb2a79b721ff4558c8"></a><!-- doxytag: member="s_desc::ligTag" ref="20bd4d9024f38edb2a79b721ff4558c8" args="[8]" -->
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<td class="memname">char <a class="el" href="structs__desc.html#20bd4d9024f38edb2a79b721ff4558c8">s_desc::ligTag</a>[8] </td>
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<p>
het atom tag of ligands situated in the pocket
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00107">107</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="pocket_8c-source.html#l00542">set_pocket_contacted_lig_name()</a>, and <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>.</p>
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<a class="anchor" name="15d78f3262dcfa80bfba6c1872c51f6e"></a><!-- doxytag: member="s_desc::n_abpa" ref="15d78f3262dcfa80bfba6c1872c51f6e" args="" -->
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<td class="memname">int <a class="el" href="structs__desc.html#15d78f3262dcfa80bfba6c1872c51f6e">s_desc::n_abpa</a> </td>
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<p>
number of abpas in the binding site
<p>Definition at line <a class="el" href="descriptors_8h-source.html#l00108">108</a> of file <a class="el" href="descriptors_8h-source.html">descriptors.h</a>.</p>
<p>Referenced by <a class="el" href="asa_8c-source.html#l00267">set_ASA()</a>, and <a class="el" href="fpout_8c-source.html#l00212">write_descriptors_DB()</a>.</p>
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<hr>The documentation for this struct was generated from the following file:<ul>
<li><a class="el" href="descriptors_8h-source.html">descriptors.h</a></ul>
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<hr size="1"><address style="text-align: right;"><small>Generated on Mon Jun 7 16:44:23 2010 for fpocket by&nbsp;
<a href="http://www.doxygen.org/index.html">
<img src="doxygen.png" alt="doxygen" align="middle" border="0"></a> 1.5.6 </small></address>
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