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pdbFileMerge - Revision history
2026-05-04T16:24:48Z
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Kinoshita: Created page with "'''pdbFileMerge''' is Eos's Command that merges 2 PDB files to 1 PDB file. == List of option == === Main option === <table border="1"> <tr> <th>Opt..."
2014-08-08T00:07:02Z
<p>Created page with "'''pdbFileMerge''' is <a href="/Eos/index.php/Eos" title="Eos">Eos</a>'s <a href="/Eos/index.php/Command" title="Command">Command</a> that merges 2 <a href="/Eos/index.php/PDB" title="PDB">PDB</a> files to 1 <a href="/Eos/index.php/PDB" title="PDB">PDB</a> file. == List of option == === Main option === <table border="1"> <tr> <th>Opt..."</p>
<p><b>New page</b></p><div>'''pdbFileMerge''' is [[Eos]]'s [[Command]] that merges 2 [[PDB]] files to 1 [[PDB]] file.<br />
<br />
<br />
== List of option ==<br />
=== Main option ===<br />
<table border="1"><br />
<tr> <br />
<th>Option</th> <br />
<th>Essential/Optional</th> <br />
<th>Description</th> <br />
<th>Default</th> <br />
</tr> <br />
<tr> <br />
<td>-i1</td> <br />
<td>Essential</td> <br />
<td>Input1: [[PDB]]</td> <br />
<td>NULL</td> <br />
</tr> <br />
<tr> <br />
<td>-i2</td> <br />
<td>Essential</td> <br />
<td>Input2: [[PDB]]</td> <br />
<td>NULL</td> <br />
</tr> <br />
<tr> <br />
<td>-o</td> <br />
<td>Essential</td> <br />
<td>Output: [[PDB]]</td> <br />
<td>NULL</td> <br />
</tr> <br />
<tr> <br />
<td>-startC</td> <br />
<td>Optional</td> <br />
<td>start chain ID</td> <br />
<td>A</td> <br />
</tr> <br />
<tr> <br />
<td>-c</td> <br />
<td>Optional</td> <br />
<td>ConfigurationFile</td> <br />
<td>NULL</td> <br />
</tr> <br />
<tr> <br />
<td>-m</td> <br />
<td>Optional</td> <br />
<td>Mode</td> <br />
<td>0</td> <br />
</tr> <br />
<tr> <br />
<td>-h</td> <br />
<td>Optional</td> <br />
<td>Help</td> <br />
<td> </td> <br />
</tr> <br />
</table> <br />
<br />
=== -m details ===<br />
<table border="1"><br />
<tr> <br />
<th>Value</th> <br />
<th>Description</th> <br />
</tr> <br />
<tr> <br />
<td>0</td> <br />
<td></td> <br />
</tr> <br />
</table> <br />
<br />
<br />
== Execution example ==<br />
===[[:Media:Input-121P-T2.pdb.zip|Input file1]] image===<br />
<table> <br />
<tr> <br />
<td>[[File:Input-121P-PDB2.png]]</td> <br />
<td><p align="left">Gravity Centre(CA)<br> <br />
Atom far from Centre(CA)<br> <br />
Atom far from Centre(CA, Axis)<br> </p><br />
</td> <br />
<td><p align="left">6.053012e+00 2.519590e+01 1.189075e+01<br> <br />
3.286664e+01 <br> <br />
24.77 23.85 28.04 <br></p><br />
</td> <br />
</tr> <br />
</table> <br />
<br><br />
<br />
===[[:Media:Input-121P-T3.pdb.zip|Input file2]] image===<br />
<table> <br />
<tr> <br />
<td>[[File:Input-121P-T3.png]]</td> <br />
<td><p align="left">Gravity Centre(CA)<br> <br />
Atom far from Centre(CA)<br> <br />
Atom far from Centre(CA, Axis)<br> </p><br />
</td> <br />
<td><p align="left">5.097651e-01 1.932045e+01 1.188975e+01<br> <br />
3.286711e+01 <br> <br />
23.93 24.14 28.04<br> </p><br />
</td> <br />
</tr> <br />
</table> <br />
<br><br />
<br />
=== Case: Options only essential ===<br />
<table> <br />
<tr> <br />
<td>[[File:Outdata-pdbFileMerge.png]]</td> <br />
<td><p align="left">Gravity Centre(CA)<br> <br />
Atom far from Centre(CA)<br> <br />
Atom far from Centre(CA, Axis)<br> </p><br />
</td> <br />
<td><p align="left">3.281389e+00 2.225817e+01 -4.999687e-04<br> <br />
3.798185e+01<br> <br />
27.38 27.08 34.08<br></p><br />
</td> <br />
</table><br />
<br></div>
Kinoshita