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<h1>s_atm Struct Reference</h1><!-- doxytag: class="s_atm" --><code>#include &lt;<a class="el" href="atom_8h-source.html">atom.h</a>&gt;</code>
<p>
<table border="0" cellpadding="0" cellspacing="0">
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<tr><td colspan="2"><br><h2>Data Fields</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">int&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__atm.html#05407d7638ff7f6fc210026306def9b5">sort_x</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__atm.html#2bf748fbcd9b6d0a472b292a6b244ed5">x</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__atm.html#72534af707e830760a209fec348bc1af">y</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__atm.html#f7cae749a2d07ffb393317f12745170a">z</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__atm.html#2f0330a30f640668efdd726a6dd05a93">name</a> [5]</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">char&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__atm.html#98466fdfcb021884beb229b1dca361ae">type</a> [7]</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">char&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__atm.html#c5b9464bd67f2cca101f7bf6beabb223">chain</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__atm.html#c80daffa94edeadd30433f6653e08054">symbol</a> [3]</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">char&nbsp;</td><td class="memItemRight" valign="bottom"><a class="el" href="structs__atm.html#e0ff20f2c491a8b16c866d9b1386b6a5">res_name</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__atm.html#88237f06aa7a10cd6b382c19b800f230">id</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__atm.html#46d588698400fc19733301d687cf98bd">seen</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__atm.html#7c42c076ce151f4af210bef730b2b88f">res_id</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__atm.html#de270d849563cffcab038bcb5f5c6e97">atype</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__atm.html#a03a199ed11108d7710547df629c7d73">charge</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__atm.html#ebbe1b323a702c23ef5bb21888adb6a8">mass</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__atm.html#28c2d3bc2d95eb928ea6b5d37184d7f4">radius</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__atm.html#f41b525ee3032d47baf2db10387f022c">electroneg</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__atm.html#1696926c680a1014360598d54a1dadb0">occupancy</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__atm.html#6a1a5fd32629457dfa14626b25b5ae46">bfactor</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__atm.html#bfd1f905200f69dd9cd9750fd305cf46">pdb_insert</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__atm.html#58eeb8a80942caa3bd2374f3175cb77d">pdb_aloc</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__atm.html#e490809411c7c78662727873d499c730">atomic_num</a></td></tr>
</table>
<hr><a name="_details"></a><h2>Detailed Description</h2>
A structure for the modelisation of an atom
<p>Definition at line <a class="el" href="atom_8h-source.html#l00052">52</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
<hr><h2>Field Documentation</h2>
<a class="anchor" name="05407d7638ff7f6fc210026306def9b5"></a><!-- doxytag: member="s_atm::sort_x" ref="05407d7638ff7f6fc210026306def9b5" args="" -->
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<td class="memname">int <a class="el" href="structs__atm.html#05407d7638ff7f6fc210026306def9b5">s_atm::sort_x</a> </td>
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<p>
Index in the sorted tab by X coord
<p>Definition at line <a class="el" href="atom_8h-source.html#l00054">54</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
<p>Referenced by <a class="el" href="neighbor_8c-source.html#l00610">count_atm_prop_vert_neigh()</a>, <a class="el" href="neighbor_8c-source.html#l00503">count_pocket_lig_vert_ovlp()</a>, <a class="el" href="neighbor_8c-source.html#l00090">get_mol_atm_neigh()</a>, <a class="el" href="neighbor_8c-source.html#l00332">get_mol_ctd_atm_neigh()</a>, <a class="el" href="neighbor_8c-source.html#l00213">get_mol_vert_neigh()</a>, <a class="el" href="sort_8c-source.html#l00123">merge_atom_vert()</a>, <a class="el" href="sort_8c-source.html#l00213">partition_x()</a>, <a class="el" href="sort_8c-source.html#l00286">print_sorted_lst()</a>, and <a class="el" href="rpdb_8c-source.html#l00599">rpdb_read()</a>.</p>
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<a class="anchor" name="2bf748fbcd9b6d0a472b292a6b244ed5"></a><!-- doxytag: member="s_atm::x" ref="2bf748fbcd9b6d0a472b292a6b244ed5" args="" -->
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<td class="memname">float <a class="el" href="structs__atm.html#2bf748fbcd9b6d0a472b292a6b244ed5">s_atm::x</a> </td>
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<p>Definition at line <a class="el" href="atom_8h-source.html#l00056">56</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
<p>Referenced by <a class="el" href="neighbor_8c-source.html#l00610">count_atm_prop_vert_neigh()</a>, <a class="el" href="neighbor_8c-source.html#l00503">count_pocket_lig_vert_ovlp()</a>, <a class="el" href="mdpocket_8c-source.html#l00339">extract_wanted_vertices()</a>, <a class="el" href="neighbor_8c-source.html#l00090">get_mol_atm_neigh()</a>, <a class="el" href="neighbor_8c-source.html#l00332">get_mol_ctd_atm_neigh()</a>, <a class="el" href="neighbor_8c-source.html#l00213">get_mol_vert_neigh()</a>, <a class="el" href="atom_8c-source.html#l00179">get_mol_volume_ptr()</a>, <a class="el" href="asa_8c-source.html#l00107">get_surrounding_atoms_idx()</a>, <a class="el" href="mdpocket_8c-source.html#l00386">get_wanted_atom_ids()</a>, <a class="el" href="check_8c-source.html#l00414">load_pdb_line()</a>, <a class="el" href="voronoi_8c-source.html#l00090">load_vvertices()</a>, <a class="el" href="sort_8c-source.html#l00213">partition_x()</a>, <a class="el" href="atom_8c-source.html#l00330">print_atoms()</a>, <a class="el" href="sort_8c-source.html#l00286">print_sorted_lst()</a>, <a class="el" href="voronoi_8c-source.html#l00411">print_vvertices()</a>, <a class="el" href="mdpbase_8c-source.html#l00295">project_grid_on_atoms()</a>, <a class="el" href="rpdb_8c-source.html#l00599">rpdb_read()</a>, <a class="el" href="asa_8c-source.html#l00267">set_ASA()</a>, <a class="el" href="voronoi_8c-source.html#l00321">set_barycenter()</a>, <a class="el" href="tpocket_8c-source.html#l01047">set_basic_overlap_volume()</a>, <a class="el" href="tpocket_8c-source.html#l00924">set_mc_overlap_volume()</a>, <a class="el" href="atom_8c-source.html#l00142">set_mol_barycenter_ptr()</a>, <a class="el" href="pocket_8c-source.html#l00542">set_pocket_contacted_lig_name()</a>, <a class="el" href="check_8c-source.html#l00340">test_pdb_line()</a>, <a class="el" href="voronoi_8c-source.html#l00359">testVvertice()</a>, <a class="el" href="mdpout_8c-source.html#l00203">write_first_bfactor_density()</a>, <a class="el" href="mdpout_8c-source.html#l00162">write_md_pocket_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00263">write_pdb_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00115">write_pocket_pdb_DB()</a>.</p>
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<a class="anchor" name="72534af707e830760a209fec348bc1af"></a><!-- doxytag: member="s_atm::y" ref="72534af707e830760a209fec348bc1af" args="" -->
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<td class="memname">float <a class="el" href="structs__atm.html#72534af707e830760a209fec348bc1af">s_atm::y</a> </td>
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<p>Definition at line <a class="el" href="atom_8h-source.html#l00056">56</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
<p>Referenced by <a class="el" href="neighbor_8c-source.html#l00610">count_atm_prop_vert_neigh()</a>, <a class="el" href="neighbor_8c-source.html#l00503">count_pocket_lig_vert_ovlp()</a>, <a class="el" href="mdpocket_8c-source.html#l00339">extract_wanted_vertices()</a>, <a class="el" href="neighbor_8c-source.html#l00090">get_mol_atm_neigh()</a>, <a class="el" href="neighbor_8c-source.html#l00332">get_mol_ctd_atm_neigh()</a>, <a class="el" href="neighbor_8c-source.html#l00213">get_mol_vert_neigh()</a>, <a class="el" href="atom_8c-source.html#l00179">get_mol_volume_ptr()</a>, <a class="el" href="asa_8c-source.html#l00107">get_surrounding_atoms_idx()</a>, <a class="el" href="mdpocket_8c-source.html#l00386">get_wanted_atom_ids()</a>, <a class="el" href="check_8c-source.html#l00414">load_pdb_line()</a>, <a class="el" href="voronoi_8c-source.html#l00090">load_vvertices()</a>, <a class="el" href="atom_8c-source.html#l00330">print_atoms()</a>, <a class="el" href="voronoi_8c-source.html#l00411">print_vvertices()</a>, <a class="el" href="mdpbase_8c-source.html#l00295">project_grid_on_atoms()</a>, <a class="el" href="rpdb_8c-source.html#l00599">rpdb_read()</a>, <a class="el" href="asa_8c-source.html#l00267">set_ASA()</a>, <a class="el" href="voronoi_8c-source.html#l00321">set_barycenter()</a>, <a class="el" href="tpocket_8c-source.html#l01047">set_basic_overlap_volume()</a>, <a class="el" href="tpocket_8c-source.html#l00924">set_mc_overlap_volume()</a>, <a class="el" href="atom_8c-source.html#l00142">set_mol_barycenter_ptr()</a>, <a class="el" href="pocket_8c-source.html#l00542">set_pocket_contacted_lig_name()</a>, <a class="el" href="check_8c-source.html#l00340">test_pdb_line()</a>, <a class="el" href="voronoi_8c-source.html#l00359">testVvertice()</a>, <a class="el" href="mdpout_8c-source.html#l00203">write_first_bfactor_density()</a>, <a class="el" href="mdpout_8c-source.html#l00162">write_md_pocket_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00263">write_pdb_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00115">write_pocket_pdb_DB()</a>.</p>
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<a class="anchor" name="f7cae749a2d07ffb393317f12745170a"></a><!-- doxytag: member="s_atm::z" ref="f7cae749a2d07ffb393317f12745170a" args="" -->
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<td class="memname">float <a class="el" href="structs__atm.html#f7cae749a2d07ffb393317f12745170a">s_atm::z</a> </td>
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<p>
Coords
<p>Definition at line <a class="el" href="atom_8h-source.html#l00056">56</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
<p>Referenced by <a class="el" href="neighbor_8c-source.html#l00610">count_atm_prop_vert_neigh()</a>, <a class="el" href="neighbor_8c-source.html#l00503">count_pocket_lig_vert_ovlp()</a>, <a class="el" href="mdpocket_8c-source.html#l00339">extract_wanted_vertices()</a>, <a class="el" href="neighbor_8c-source.html#l00090">get_mol_atm_neigh()</a>, <a class="el" href="neighbor_8c-source.html#l00332">get_mol_ctd_atm_neigh()</a>, <a class="el" href="neighbor_8c-source.html#l00213">get_mol_vert_neigh()</a>, <a class="el" href="atom_8c-source.html#l00179">get_mol_volume_ptr()</a>, <a class="el" href="asa_8c-source.html#l00107">get_surrounding_atoms_idx()</a>, <a class="el" href="mdpocket_8c-source.html#l00386">get_wanted_atom_ids()</a>, <a class="el" href="check_8c-source.html#l00414">load_pdb_line()</a>, <a class="el" href="voronoi_8c-source.html#l00090">load_vvertices()</a>, <a class="el" href="atom_8c-source.html#l00330">print_atoms()</a>, <a class="el" href="voronoi_8c-source.html#l00411">print_vvertices()</a>, <a class="el" href="mdpbase_8c-source.html#l00295">project_grid_on_atoms()</a>, <a class="el" href="rpdb_8c-source.html#l00599">rpdb_read()</a>, <a class="el" href="asa_8c-source.html#l00267">set_ASA()</a>, <a class="el" href="voronoi_8c-source.html#l00321">set_barycenter()</a>, <a class="el" href="tpocket_8c-source.html#l01047">set_basic_overlap_volume()</a>, <a class="el" href="tpocket_8c-source.html#l00924">set_mc_overlap_volume()</a>, <a class="el" href="atom_8c-source.html#l00142">set_mol_barycenter_ptr()</a>, <a class="el" href="pocket_8c-source.html#l00542">set_pocket_contacted_lig_name()</a>, <a class="el" href="check_8c-source.html#l00340">test_pdb_line()</a>, <a class="el" href="voronoi_8c-source.html#l00359">testVvertice()</a>, <a class="el" href="mdpout_8c-source.html#l00203">write_first_bfactor_density()</a>, <a class="el" href="mdpout_8c-source.html#l00162">write_md_pocket_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00263">write_pdb_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00115">write_pocket_pdb_DB()</a>.</p>
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<a class="anchor" name="2f0330a30f640668efdd726a6dd05a93"></a><!-- doxytag: member="s_atm::name" ref="2f0330a30f640668efdd726a6dd05a93" args="[5]" -->
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<td class="memname">char <a class="el" href="structs__atm.html#2f0330a30f640668efdd726a6dd05a93">s_atm::name</a>[5] </td>
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<p>
Atom name
<p>Definition at line <a class="el" href="atom_8h-source.html#l00057">57</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
<p>Referenced by <a class="el" href="atom_8c-source.html#l00287">atm_corsp()</a>, <a class="el" href="check_8c-source.html#l00414">load_pdb_line()</a>, <a class="el" href="atom_8c-source.html#l00330">print_atoms()</a>, <a class="el" href="rpdb_8c-source.html#l00599">rpdb_read()</a>, <a class="el" href="check_8c-source.html#l00340">test_pdb_line()</a>, <a class="el" href="mdpout_8c-source.html#l00203">write_first_bfactor_density()</a>, <a class="el" href="mdpout_8c-source.html#l00162">write_md_pocket_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00263">write_pdb_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00115">write_pocket_pdb_DB()</a>.</p>
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<a class="anchor" name="98466fdfcb021884beb229b1dca361ae"></a><!-- doxytag: member="s_atm::type" ref="98466fdfcb021884beb229b1dca361ae" args="[7]" -->
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<td class="memname">char <a class="el" href="structs__atm.html#98466fdfcb021884beb229b1dca361ae">s_atm::type</a>[7] </td>
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Atom type
<p>Definition at line <a class="el" href="atom_8h-source.html#l00057">57</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
<p>Referenced by <a class="el" href="check_8c-source.html#l00414">load_pdb_line()</a>, <a class="el" href="atom_8c-source.html#l00330">print_atoms()</a>, <a class="el" href="rpdb_8c-source.html#l00599">rpdb_read()</a>, <a class="el" href="check_8c-source.html#l00340">test_pdb_line()</a>, <a class="el" href="writepocket_8c-source.html#l00263">write_pdb_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00115">write_pocket_pdb_DB()</a>.</p>
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</div><p>
<a class="anchor" name="c5b9464bd67f2cca101f7bf6beabb223"></a><!-- doxytag: member="s_atm::chain" ref="c5b9464bd67f2cca101f7bf6beabb223" args="[2]" -->
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<td class="memname">char <a class="el" href="structs__atm.html#c5b9464bd67f2cca101f7bf6beabb223">s_atm::chain</a>[2] </td>
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<p>
Chain name
<p>Definition at line <a class="el" href="atom_8h-source.html#l00057">57</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
<p>Referenced by <a class="el" href="descriptors_8c-source.html#l00333">countResidues()</a>, <a class="el" href="check_8c-source.html#l00414">load_pdb_line()</a>, <a class="el" href="atom_8c-source.html#l00330">print_atoms()</a>, <a class="el" href="rpdb_8c-source.html#l00599">rpdb_read()</a>, <a class="el" href="descriptors_8c-source.html#l00373">set_atom_based_descriptors()</a>, <a class="el" href="check_8c-source.html#l00340">test_pdb_line()</a>, <a class="el" href="mdpout_8c-source.html#l00203">write_first_bfactor_density()</a>, <a class="el" href="mdpout_8c-source.html#l00162">write_md_pocket_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00263">write_pdb_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00115">write_pocket_pdb_DB()</a>.</p>
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<a class="anchor" name="c80daffa94edeadd30433f6653e08054"></a><!-- doxytag: member="s_atm::symbol" ref="c80daffa94edeadd30433f6653e08054" args="[3]" -->
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<td class="memname">char <a class="el" href="structs__atm.html#c80daffa94edeadd30433f6653e08054">s_atm::symbol</a>[3] </td>
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<p>
Chemical symbol of the atom
<p>Definition at line <a class="el" href="atom_8h-source.html#l00057">57</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
<p>Referenced by <a class="el" href="asa_8c-source.html#l00107">get_surrounding_atoms_idx()</a>, <a class="el" href="check_8c-source.html#l00414">load_pdb_line()</a>, <a class="el" href="voronoi_8c-source.html#l00090">load_vvertices()</a>, <a class="el" href="atom_8c-source.html#l00330">print_atoms()</a>, <a class="el" href="rpdb_8c-source.html#l00599">rpdb_read()</a>, <a class="el" href="check_8c-source.html#l00340">test_pdb_line()</a>, <a class="el" href="mdpout_8c-source.html#l00203">write_first_bfactor_density()</a>, <a class="el" href="mdpout_8c-source.html#l00162">write_md_pocket_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00263">write_pdb_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00115">write_pocket_pdb_DB()</a>.</p>
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<a class="anchor" name="e0ff20f2c491a8b16c866d9b1386b6a5"></a><!-- doxytag: member="s_atm::res_name" ref="e0ff20f2c491a8b16c866d9b1386b6a5" args="[8]" -->
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<td class="memname">char <a class="el" href="structs__atm.html#e0ff20f2c491a8b16c866d9b1386b6a5">s_atm::res_name</a>[8] </td>
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<p>
Atom residue name
<p>Definition at line <a class="el" href="atom_8h-source.html#l00057">57</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
<p>Referenced by <a class="el" href="check_8c-source.html#l00414">load_pdb_line()</a>, <a class="el" href="atom_8c-source.html#l00330">print_atoms()</a>, <a class="el" href="rpdb_8c-source.html#l00599">rpdb_read()</a>, <a class="el" href="descriptors_8c-source.html#l00373">set_atom_based_descriptors()</a>, <a class="el" href="pocket_8c-source.html#l00542">set_pocket_contacted_lig_name()</a>, <a class="el" href="mdpout_8c-source.html#l00203">write_first_bfactor_density()</a>, <a class="el" href="mdpout_8c-source.html#l00162">write_md_pocket_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00263">write_pdb_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00115">write_pocket_pdb_DB()</a>.</p>
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<a class="anchor" name="88237f06aa7a10cd6b382c19b800f230"></a><!-- doxytag: member="s_atm::id" ref="88237f06aa7a10cd6b382c19b800f230" args="" -->
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<td class="memname">int <a class="el" href="structs__atm.html#88237f06aa7a10cd6b382c19b800f230">s_atm::id</a> </td>
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<p>
Atom id
<p>Definition at line <a class="el" href="atom_8h-source.html#l00063">63</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
<p>Referenced by <a class="el" href="atom_8c-source.html#l00287">atm_corsp()</a>, <a class="el" href="asa_8c-source.html#l00074">atom_in_list()</a>, <a class="el" href="pocket_8c-source.html#l01325">count_pocket_contacted_atms()</a>, <a class="el" href="neighbor_8c-source.html#l00090">get_mol_atm_neigh()</a>, <a class="el" href="pocket_8c-source.html#l01269">get_pocket_contacted_atms()</a>, <a class="el" href="asa_8c-source.html#l00157">get_unique_atoms()</a>, <a class="el" href="voronoi__lst_8c-source.html#l00225">get_vert_contacted_atms()</a>, <a class="el" href="mdpocket_8c-source.html#l00386">get_wanted_atom_ids()</a>, <a class="el" href="check_8c-source.html#l00414">load_pdb_line()</a>, <a class="el" href="atom_8c-source.html#l00330">print_atoms()</a>, <a class="el" href="voronoi_8c-source.html#l00411">print_vvertices()</a>, <a class="el" href="rpdb_8c-source.html#l00599">rpdb_read()</a>, <a class="el" href="check_8c-source.html#l00340">test_pdb_line()</a>, <a class="el" href="mdpout_8c-source.html#l00203">write_first_bfactor_density()</a>, <a class="el" href="mdpout_8c-source.html#l00162">write_md_pocket_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00263">write_pdb_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00115">write_pocket_pdb_DB()</a>.</p>
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<a class="anchor" name="46d588698400fc19733301d687cf98bd"></a><!-- doxytag: member="s_atm::seen" ref="46d588698400fc19733301d687cf98bd" args="" -->
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<td class="memname">int <a class="el" href="structs__atm.html#46d588698400fc19733301d687cf98bd">s_atm::seen</a> </td>
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<p>
Say if we have seen this atom during a neighbor search
<p>Definition at line <a class="el" href="atom_8h-source.html#l00063">63</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
<p>Referenced by <a class="el" href="neighbor_8c-source.html#l00332">get_mol_ctd_atm_neigh()</a>.</p>
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<a class="anchor" name="7c42c076ce151f4af210bef730b2b88f"></a><!-- doxytag: member="s_atm::res_id" ref="7c42c076ce151f4af210bef730b2b88f" args="" -->
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<td class="memname">int <a class="el" href="structs__atm.html#7c42c076ce151f4af210bef730b2b88f">s_atm::res_id</a> </td>
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<p>
Atom residue ID
<p>Definition at line <a class="el" href="atom_8h-source.html#l00063">63</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
<p>Referenced by <a class="el" href="atom_8c-source.html#l00287">atm_corsp()</a>, <a class="el" href="tpocket_8c-source.html#l00661">check_pockets()</a>, <a class="el" href="neighbor_8c-source.html#l00610">count_atm_prop_vert_neigh()</a>, <a class="el" href="descriptors_8c-source.html#l00333">countResidues()</a>, <a class="el" href="dpocket_8c-source.html#l00184">desc_pocket()</a>, <a class="el" href="check_8c-source.html#l00414">load_pdb_line()</a>, <a class="el" href="atom_8c-source.html#l00330">print_atoms()</a>, <a class="el" href="rpdb_8c-source.html#l00599">rpdb_read()</a>, <a class="el" href="descriptors_8c-source.html#l00373">set_atom_based_descriptors()</a>, <a class="el" href="check_8c-source.html#l00340">test_pdb_line()</a>, <a class="el" href="mdpout_8c-source.html#l00203">write_first_bfactor_density()</a>, <a class="el" href="mdpout_8c-source.html#l00162">write_md_pocket_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00263">write_pdb_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00115">write_pocket_pdb_DB()</a>.</p>
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<a class="anchor" name="de270d849563cffcab038bcb5f5c6e97"></a><!-- doxytag: member="s_atm::atype" ref="de270d849563cffcab038bcb5f5c6e97" args="" -->
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<td class="memname">int <a class="el" href="structs__atm.html#de270d849563cffcab038bcb5f5c6e97">s_atm::atype</a> </td>
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<p>Definition at line <a class="el" href="atom_8h-source.html#l00063">63</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
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<a class="anchor" name="a03a199ed11108d7710547df629c7d73"></a><!-- doxytag: member="s_atm::charge" ref="a03a199ed11108d7710547df629c7d73" args="" -->
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<td class="memname">int <a class="el" href="structs__atm.html#a03a199ed11108d7710547df629c7d73">s_atm::charge</a> </td>
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<p>
Atom charge
<p>Definition at line <a class="el" href="atom_8h-source.html#l00063">63</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
<p>Referenced by <a class="el" href="check_8c-source.html#l00414">load_pdb_line()</a>, <a class="el" href="atom_8c-source.html#l00330">print_atoms()</a>, <a class="el" href="rpdb_8c-source.html#l00599">rpdb_read()</a>, <a class="el" href="check_8c-source.html#l00340">test_pdb_line()</a>, <a class="el" href="mdpout_8c-source.html#l00203">write_first_bfactor_density()</a>, <a class="el" href="mdpout_8c-source.html#l00162">write_md_pocket_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00263">write_pdb_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00115">write_pocket_pdb_DB()</a>.</p>
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<a class="anchor" name="ebbe1b323a702c23ef5bb21888adb6a8"></a><!-- doxytag: member="s_atm::mass" ref="ebbe1b323a702c23ef5bb21888adb6a8" args="" -->
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<td class="memname">float <a class="el" href="structs__atm.html#ebbe1b323a702c23ef5bb21888adb6a8">s_atm::mass</a> </td>
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<p>
Mass
<p>Definition at line <a class="el" href="atom_8h-source.html#l00070">70</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
<p>Referenced by <a class="el" href="atom_8c-source.html#l00085">get_mol_mass()</a>, <a class="el" href="atom_8c-source.html#l00112">get_mol_mass_ptr()</a>, <a class="el" href="atom_8c-source.html#l00330">print_atoms()</a>, and <a class="el" href="rpdb_8c-source.html#l00599">rpdb_read()</a>.</p>
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<a class="anchor" name="28c2d3bc2d95eb928ea6b5d37184d7f4"></a><!-- doxytag: member="s_atm::radius" ref="28c2d3bc2d95eb928ea6b5d37184d7f4" args="" -->
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<td class="memname">float <a class="el" href="structs__atm.html#28c2d3bc2d95eb928ea6b5d37184d7f4">s_atm::radius</a> </td>
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<p>
Vdw radius
<p>Definition at line <a class="el" href="atom_8h-source.html#l00070">70</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
<p>Referenced by <a class="el" href="atom_8c-source.html#l00179">get_mol_volume_ptr()</a>, <a class="el" href="atom_8c-source.html#l00330">print_atoms()</a>, <a class="el" href="rpdb_8c-source.html#l00599">rpdb_read()</a>, <a class="el" href="asa_8c-source.html#l00267">set_ASA()</a>, <a class="el" href="tpocket_8c-source.html#l01047">set_basic_overlap_volume()</a>, and <a class="el" href="tpocket_8c-source.html#l00924">set_mc_overlap_volume()</a>.</p>
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<a class="anchor" name="f41b525ee3032d47baf2db10387f022c"></a><!-- doxytag: member="s_atm::electroneg" ref="f41b525ee3032d47baf2db10387f022c" args="" -->
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<td class="memname">float <a class="el" href="structs__atm.html#f41b525ee3032d47baf2db10387f022c">s_atm::electroneg</a> </td>
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<p>
Electronegativity
<p>Definition at line <a class="el" href="atom_8h-source.html#l00070">70</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
<p>Referenced by <a class="el" href="voronoi_8c-source.html#l00187">fill_vvertices()</a>, <a class="el" href="rpdb_8c-source.html#l00599">rpdb_read()</a>, <a class="el" href="asa_8c-source.html#l00267">set_ASA()</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="1696926c680a1014360598d54a1dadb0"></a><!-- doxytag: member="s_atm::occupancy" ref="1696926c680a1014360598d54a1dadb0" args="" -->
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<td class="memname">float <a class="el" href="structs__atm.html#1696926c680a1014360598d54a1dadb0">s_atm::occupancy</a> </td>
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<p>
Occupancy
<p>Definition at line <a class="el" href="atom_8h-source.html#l00070">70</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
<p>Referenced by <a class="el" href="check_8c-source.html#l00414">load_pdb_line()</a>, <a class="el" href="atom_8c-source.html#l00330">print_atoms()</a>, <a class="el" href="rpdb_8c-source.html#l00599">rpdb_read()</a>, <a class="el" href="check_8c-source.html#l00340">test_pdb_line()</a>, <a class="el" href="mdpout_8c-source.html#l00203">write_first_bfactor_density()</a>, <a class="el" href="mdpout_8c-source.html#l00162">write_md_pocket_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00263">write_pdb_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00115">write_pocket_pdb_DB()</a>.</p>
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<a class="anchor" name="6a1a5fd32629457dfa14626b25b5ae46"></a><!-- doxytag: member="s_atm::bfactor" ref="6a1a5fd32629457dfa14626b25b5ae46" args="" -->
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<td class="memname">float <a class="el" href="structs__atm.html#6a1a5fd32629457dfa14626b25b5ae46">s_atm::bfactor</a> </td>
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<p>
B-factor for christal structures
<p>Definition at line <a class="el" href="atom_8h-source.html#l00070">70</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
<p>Referenced by <a class="el" href="check_8c-source.html#l00414">load_pdb_line()</a>, <a class="el" href="atom_8c-source.html#l00330">print_atoms()</a>, <a class="el" href="mdpbase_8c-source.html#l00295">project_grid_on_atoms()</a>, <a class="el" href="rpdb_8c-source.html#l00599">rpdb_read()</a>, <a class="el" href="descriptors_8c-source.html#l00373">set_atom_based_descriptors()</a>, <a class="el" href="check_8c-source.html#l00340">test_pdb_line()</a>, <a class="el" href="mdpout_8c-source.html#l00203">write_first_bfactor_density()</a>, <a class="el" href="mdpout_8c-source.html#l00162">write_md_pocket_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00263">write_pdb_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00115">write_pocket_pdb_DB()</a>.</p>
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<a class="anchor" name="bfd1f905200f69dd9cd9750fd305cf46"></a><!-- doxytag: member="s_atm::pdb_insert" ref="bfd1f905200f69dd9cd9750fd305cf46" args="" -->
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<td class="memname">char <a class="el" href="structs__atm.html#bfd1f905200f69dd9cd9750fd305cf46">s_atm::pdb_insert</a> </td>
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<p>
PDB insertion code
<p>Definition at line <a class="el" href="atom_8h-source.html#l00076">76</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
<p>Referenced by <a class="el" href="check_8c-source.html#l00414">load_pdb_line()</a>, <a class="el" href="rpdb_8c-source.html#l00599">rpdb_read()</a>, <a class="el" href="check_8c-source.html#l00340">test_pdb_line()</a>, <a class="el" href="mdpout_8c-source.html#l00203">write_first_bfactor_density()</a>, <a class="el" href="mdpout_8c-source.html#l00162">write_md_pocket_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00263">write_pdb_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00115">write_pocket_pdb_DB()</a>.</p>
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<a class="anchor" name="58eeb8a80942caa3bd2374f3175cb77d"></a><!-- doxytag: member="s_atm::pdb_aloc" ref="58eeb8a80942caa3bd2374f3175cb77d" args="" -->
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<td class="memname">char <a class="el" href="structs__atm.html#58eeb8a80942caa3bd2374f3175cb77d">s_atm::pdb_aloc</a> </td>
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PDB alternate location code
<p>Definition at line <a class="el" href="atom_8h-source.html#l00076">76</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
<p>Referenced by <a class="el" href="check_8c-source.html#l00414">load_pdb_line()</a>, <a class="el" href="rpdb_8c-source.html#l00599">rpdb_read()</a>, <a class="el" href="check_8c-source.html#l00340">test_pdb_line()</a>, <a class="el" href="mdpout_8c-source.html#l00203">write_first_bfactor_density()</a>, <a class="el" href="mdpout_8c-source.html#l00162">write_md_pocket_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00263">write_pdb_atoms()</a>, <a class="el" href="writepocket_8c-source.html#l00495">write_pocket_pdb()</a>, and <a class="el" href="writepocket_8c-source.html#l00115">write_pocket_pdb_DB()</a>.</p>
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<td class="memname">int <a class="el" href="structs__atm.html#e490809411c7c78662727873d499c730">s_atm::atomic_num</a> </td>
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Atomic number
<p>Definition at line <a class="el" href="atom_8h-source.html#l00079">79</a> of file <a class="el" href="atom_8h-source.html">atom.h</a>.</p>
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<hr>The documentation for this struct was generated from the following file:<ul>
<li><a class="el" href="atom_8h-source.html">atom.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;
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<img src="doxygen.png" alt="doxygen" align="middle" border="0"></a> 1.5.6 </small></address>
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