http://wiki.docking.org/index.php?title=Enm_explorer&feed=atom&action=history
Enm explorer - Revision history
2024-03-28T14:55:50Z
Revision history for this page on the wiki
MediaWiki 1.39.1
http://wiki.docking.org/index.php?title=Enm_explorer&diff=10530&oldid=prev
TBalius at 19:24, 14 February 2018
2018-02-14T19:24:12Z
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 19:24, 14 February 2018</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l47">Line 47:</td>
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<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> ~rgc/Source/sharp_src/pdbcrd2pdbs.py pdbName crdName outputPdbPrefix</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> ~rgc/Source/sharp_src/pdbcrd2pdbs.py pdbName crdName outputPdbPrefix</div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">This version was for cluster0, but is no longer here. </ins></div></td></tr>
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<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">Here is a new version to convert a crd file to PDB files (written by Trent Balius):</ins></div></td></tr>
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TBalius
http://wiki.docking.org/index.php?title=Enm_explorer&diff=10527&oldid=prev
TBalius at 16:16, 2 February 2018
2018-02-02T16:16:50Z
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 16:16, 2 February 2018</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l31">Line 31:</td>
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<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>WARNING: '''The rms cutoff must be a float!'''</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>WARNING: '''The rms cutoff must be a float!'''</div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"></ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">*The name prefix of the input file should be 4 characters long (????.pdb): for example 1m17.pdb. </ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">*If you run it once on the protein it will produe a pdb file called ????_backbone.pdb (this file columns up to and including the coordinates not beyond, no occ or b columns). </ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">*Copy this file to a new file name with 4 characters prefix eg bb1m.pdb</ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">*Run agin with the new backbone only file. </ins></div></td></tr>
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<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">The file should also be backbone atoms</ins></div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>The larger the protein is, the more your individual bond lengths will be distorted. You will have to play with this parameter. If the output is only '''1 frame''', you need to increase this number. </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>The larger the protein is, the more your individual bond lengths will be distorted. You will have to play with this parameter. If the output is only '''1 frame''', you need to increase this number. </div></td></tr>
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<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Use: </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Use: </div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> ~rgc/Source/sharp_src/pdbcrd2pdbs.py pdbName crdName outputPdbPrefix</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> ~rgc/Source/sharp_src/pdbcrd2pdbs.py pdbName crdName outputPdbPrefix</div></td></tr>
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TBalius
http://wiki.docking.org/index.php?title=Enm_explorer&diff=10525&oldid=prev
TBalius at 19:56, 31 January 2018
2018-01-31T19:56:12Z
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 19:56, 31 January 2018</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l12">Line 12:</td>
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<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Input should be a pdb '''with backbone atoms only'''.</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Input should be a pdb '''with backbone atoms only'''.</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>Run:</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>Run <ins style="font-weight: bold; text-decoration: none;">on cluster0</ins>:</div></td></tr>
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<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> ~dahlia/software/3kenm/enm_explorer_drw/enm_explorer 1</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> ~dahlia/software/3kenm/enm_explorer_drw/enm_explorer 1</div></td></tr>
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<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">Run on cluster2:</ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"> /mnt/nfs/home/tbalius/zzz.programs/enm_explorer_drw/enm_explorer 1</ins></div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> Enter .pdb file to deform:</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> Enter .pdb file to deform:</div></td></tr>
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TBalius
http://wiki.docking.org/index.php?title=Enm_explorer&diff=6463&oldid=prev
Frodo at 01:04, 11 March 2014
2014-03-11T01:04:49Z
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<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[Category:Tutorials]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[Category:Tutorials]]</div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;">[[Category:Preparation for docking]]</del></div></td><td colspan="2" class="diff-side-added"></td></tr>
</table>
Frodo
http://wiki.docking.org/index.php?title=Enm_explorer&diff=6066&oldid=prev
Frodo at 16:12, 14 February 2014
2014-02-14T16:12:16Z
<p></p>
<table style="background-color: #fff; color: #202122;" data-mw="interface">
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 16:12, 14 February 2014</td>
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<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[Category:Docking]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[Category:Docking]]</div></td></tr>
<tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>[[Category:<del style="font-weight: bold; text-decoration: none;">Tutorial</del>]]</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>[[Category:<ins style="font-weight: bold; text-decoration: none;">Tutorials</ins>]]</div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[Category:Preparation for docking]]</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>[[Category:Preparation for docking]]</div></td></tr>
</table>
Frodo
http://wiki.docking.org/index.php?title=Enm_explorer&diff=5812&oldid=prev
Frodo at 03:38, 14 February 2014
2014-02-14T03:38:29Z
<p></p>
<table style="background-color: #fff; color: #202122;" data-mw="interface">
<col class="diff-marker" />
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<tr class="diff-title" lang="en">
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<td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 03:38, 14 February 2014</td>
</tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l37">Line 37:</td>
<td colspan="2" class="diff-lineno">Line 37:</td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Use: </div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Use: </div></td></tr>
<tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> ~rgc/Source/sharp_src/pdbcrd2pdbs.py pdbName crdName outputPdbPrefix</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div> ~rgc/Source/sharp_src/pdbcrd2pdbs.py pdbName crdName outputPdbPrefix</div></td></tr>
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<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"></ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">[[Category:Docking]]</ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">[[Category:Tutorial]]</ins></div></td></tr>
<tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">[[Category:Preparation for docking]]</ins></div></td></tr>
</table>
Frodo
http://wiki.docking.org/index.php?title=Enm_explorer&diff=1492&oldid=prev
Therese: 7 revisions
2012-10-08T20:17:36Z
<p>7 revisions</p>
<p><b>New page</b></p><div>==Overview==<br />
<br />
3KENM was developed by Qingyi Yang. Please use this reference:<br />
<br />
Yang, Q., Sharp, K. A. 2008. Building alternate protein structures using the elastic network model. Proteins, 74:682-700. [http://onlinelibrary.wiley.com/doi/10.1002/prot.22184/full]<br />
<br />
The idea is to deform a protein structure along its normal modes (elastic normal modes or ENM) while preserving physically reliable bonds and angles, as well as preserving secondary structure. <br />
<br />
==Usage==<br />
<br />
At the moment only mode "1" has been tested. All other modes of running the code are likely broken.<br />
Input should be a pdb '''with backbone atoms only'''.<br />
<br />
Run:<br />
<br />
~dahlia/software/3kenm/enm_explorer_drw/enm_explorer 1<br />
<br />
Enter .pdb file to deform:<br />
myfile_bb.pdb<br />
<br />
Enter maximum rms deviation cutoff:<br />
1.0<br />
<br />
Enter maximum change in bond length:<br />
0.4<br />
<br />
<br />
<br />
WARNING: '''The rms cutoff must be a float!'''<br />
<br />
The larger the protein is, the more your individual bond lengths will be distorted. You will have to play with this parameter. If the output is only '''1 frame''', you need to increase this number. <br />
<br />
As a note, the filename <prefix>_backbone.pdb is hardcoded, and naming your input file by that name will cause the program to crash.<br />
<br />
The output is a crd file. You will now need to convert to a series of PDB files (credit Ryan Coleman). <br />
<br />
Use: <br />
~rgc/Source/sharp_src/pdbcrd2pdbs.py pdbName crdName outputPdbPrefix</div>
Therese
http://wiki.docking.org/index.php?title=Enm_explorer&diff=1488&oldid=prev
Rgc: link to paper
2012-02-13T21:07:31Z
<p>link to paper</p>
<p><b>New page</b></p><div>==Overview==<br />
<br />
3KENM was developed by Qingyi Yang. Please use this reference:<br />
<br />
Yang, Q., Sharp, K. A. 2008. Building alternate protein structures using the elastic network model. Proteins, 74:682-700. [http://onlinelibrary.wiley.com/doi/10.1002/prot.22184/full]<br />
<br />
The idea is to deform a protein structure along its normal modes while preserving physically reliable bonds and angles, as well as preserving secondary structure. <br />
<br />
==Usage==<br />
<br />
At the moment only mode "1" has been tested. All other modes of running the code are likely broken.<br />
Input should be a pdb '''with backbone atoms only'''.<br />
<br />
Run:<br />
<br />
~dahlia/software/3kenm/enm_explorer_drw/enm_explorer 1<br />
<br />
Enter .pdb file to deform:<br />
myfile_backbone.pdb<br />
<br />
Enter maximum rms deviation cutoff:<br />
1.0<br />
<br />
Enter maximum change in bond length (recommended 0.1-0.4):<br />
0.4<br />
<br />
<br />
<br />
WARNING: '''The rms cutoff must be a float!'''<br />
<br />
The larger the protein is, the more your individual bond lengths will be distorted. You will have to play with this parameter. If the output is only '''1 frame''', you need to increase this number. <br />
<br />
The output is a crd file. You will now need to convert to a series of PDB files (credit Ryan Coleman). <br />
<br />
Use: <br />
~rgc/Source/sharp_src/pdbcrd2pdbs.py pdbName crdName outputPdbPrefix</div>
Rgc