https://wiki.pymol.org/index.php?action=history&feed=atom&title=Average_b Average b - Revision history 2026-06-14T07:24:49Z Revision history for this page on the wiki MediaWiki 1.35.1 https://wiki.pymol.org/index.php?title=Average_b&diff=834&oldid=prev Pyadmin: 6 revisions 2014-03-28T01:06:23Z <p>6 revisions</p> <table class="diff diff-contentalign-left diff-editfont-monospace" data-mw="interface"> <tr class="diff-title" lang="en"> <td colspan="1" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="1" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 01:06, 28 March 2014</td> </tr><tr><td colspan="2" class="diff-notice" lang="en"><div class="mw-diff-empty">(No difference)</div> </td></tr></table> Pyadmin https://wiki.pymol.org/index.php?title=Average_b&diff=833&oldid=prev Jaredsampson: /* code */ adjusted string outputs to use string formatting instead of concatenation; adjusted whitespace around operators 2013-11-06T17:32:07Z <p><span dir="auto"><span class="autocomment">code: </span> adjusted string outputs to use string formatting instead of concatenation; adjusted whitespace around operators</span></p> <p><b>New page</b></p><div>=average_b.py=<br /> <br /> *calculate the average B-factor of a selection.<br /> <br /> ==usage==<br /> *copy code to text file and save as average_b.py. Install via Plugin&gt;Install plugin from within PyMOL.<br /> *restart PyMOL and then type &quot;average_b (selection)&quot;<br /> <br /> ==author==<br /> Gregor Hagelueken<br /> <br /> ==code==<br /> &lt;source lang=&quot;python&quot;&gt;<br /> from pymol import cmd,stored<br /> def average_b(selection):<br /> stored.tempfactor = 0<br /> stored.atomnumber = 0<br /> cmd.iterate(selection, &quot;stored.tempfactor = stored.tempfactor + b&quot;)<br /> cmd.iterate(selection, &quot;stored.atomnumber = stored.atomnumber + 1&quot;)<br /> print &quot;Your selection: %s&quot; % selection<br /> print &quot;sum of B factors: %s&quot; % stored.tempfactor<br /> print &quot;number of atoms: %s&quot; % stored.atomnumber<br /> averagetempfactor = stored.tempfactor / stored.atomnumber<br /> print &quot;average B of '%s': %s&quot; % (selection, averagetempfactor)<br /> cmd.extend(&quot;average_b&quot;, average_b)<br /> &lt;/source&gt;<br /> <br /> [[Category:Script_Library]]<br /> [[Category:Structural_Biology_Scripts]]<br /> [[Category:Biochemical_Scripts]]</div> Jaredsampson https://wiki.pymol.org/index.php?title=Average_b&diff=829&oldid=prev Gha at 08:08, 17 December 2008 2008-12-17T08:08:30Z <p></p> <table class="diff diff-contentalign-left diff-editfont-monospace" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="en"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Older revision</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revision as of 08:08, 17 December 2008</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l3" >Line 3:</td> <td colspan="2" class="diff-lineno">Line 3:</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>*calculate the average B-factor of a selection.</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>*calculate the average B-factor of a selection.</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;"></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;"></td></tr> <tr><td class='diff-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 class="diffchange diffchange-inline">Usage</del>==</div></td><td class='diff-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 class="diffchange diffchange-inline">usage</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>*copy code to text file and save as average_b.py. Install via Plugin&gt;Install plugin from within PyMOL.</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>*copy code to text file and save as average_b.py. Install via Plugin&gt;Install plugin from within PyMOL.</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>*restart PyMOL and then type &quot;average_b (selection)&quot;</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>*restart PyMOL and then type &quot;average_b (selection)&quot;</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;"></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;"></td></tr> <tr><td class='diff-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 class="diffchange diffchange-inline">Contact</del>==</div></td><td class='diff-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 class="diffchange diffchange-inline">author</ins>==</div></td></tr> <tr><td class='diff-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>Gregor Hagelueken<del class="diffchange diffchange-inline">,</del></div></td><td class='diff-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>Gregor Hagelueken</div></td></tr> <tr><td class='diff-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 class="diffchange diffchange-inline">gh50@st-andrews.ac.uk</del></div></td><td colspan="2"> </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;"></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;"></td></tr> <tr><td class='diff-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 class="diffchange diffchange-inline">Code</del>==</div></td><td class='diff-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 class="diffchange diffchange-inline">code</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>&lt;source lang=&quot;python&quot;&gt;</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>&lt;source lang=&quot;python&quot;&gt;</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>from pymol import cmd,stored</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>from pymol import cmd,stored</div></td></tr> <tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l20" >Line 20:</td> <td colspan="2" class="diff-lineno">Line 19:</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> cmd.iterate(selection,&quot;stored.atomnumber=stored.atomnumber+1&quot;)</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> cmd.iterate(selection,&quot;stored.atomnumber=stored.atomnumber+1&quot;)</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> print &quot;Your selection: &quot;, selection</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> print &quot;Your selection: &quot;, selection</div></td></tr> <tr><td class='diff-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> print &quot;sum of <del class="diffchange diffchange-inline">b </del>factors: &quot;, stored.tempfactor</div></td><td class='diff-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> print &quot;sum of <ins class="diffchange diffchange-inline">B </ins>factors: &quot;, stored.tempfactor</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> print &quot;number of atoms: &quot;,stored.atomnumber</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> print &quot;number of atoms: &quot;,stored.atomnumber</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> averagetempfactor=stored.tempfactor/stored.atomnumber</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> averagetempfactor=stored.tempfactor/stored.atomnumber</div></td></tr> <tr><td class='diff-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> print &quot;average <del class="diffchange diffchange-inline">b </del>of '&quot;, selection,&quot;': &quot;, averagetempfactor</div></td><td class='diff-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> print &quot;average <ins class="diffchange diffchange-inline">B </ins>of '&quot;, selection,&quot;': &quot;, averagetempfactor</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>cmd.extend(&quot;average_b&quot;,average_b)</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>cmd.extend(&quot;average_b&quot;,average_b)</div></td></tr> </table> Gha https://wiki.pymol.org/index.php?title=Average_b&diff=828&oldid=prev Gha: New page: =average_b.py= *calculate the average B-factor of a selection. ==Usage== *copy code to text file and save as average_b.py. Install via Plugin>Install plugin from within PyMOL. *restart P... 2008-12-16T17:48:14Z <p>New page: =average_b.py= *calculate the average B-factor of a selection. ==Usage== *copy code to text file and save as average_b.py. Install via Plugin&gt;Install plugin from within PyMOL. *restart P...</p> <p><b>New page</b></p><div>=average_b.py=<br /> <br /> *calculate the average B-factor of a selection.<br /> <br /> ==Usage==<br /> *copy code to text file and save as average_b.py. Install via Plugin&gt;Install plugin from within PyMOL.<br /> *restart PyMOL and then type &quot;average_b (selection)&quot;<br /> <br /> ==Contact==<br /> Gregor Hagelueken,<br /> gh50@st-andrews.ac.uk<br /> <br /> ==Code==<br /> &lt;source lang=&quot;python&quot;&gt;<br /> from pymol import cmd,stored<br /> def average_b(selection):<br /> stored.tempfactor=0<br /> stored.atomnumber=0<br /> cmd.iterate(selection,&quot;stored.tempfactor=stored.tempfactor+b&quot;)<br /> cmd.iterate(selection,&quot;stored.atomnumber=stored.atomnumber+1&quot;)<br /> print &quot;Your selection: &quot;, selection<br /> print &quot;sum of b factors: &quot;, stored.tempfactor<br /> print &quot;number of atoms: &quot;,stored.atomnumber<br /> averagetempfactor=stored.tempfactor/stored.atomnumber<br /> print &quot;average b of '&quot;, selection,&quot;': &quot;, averagetempfactor<br /> cmd.extend(&quot;average_b&quot;,average_b)</div> Gha