https://wiki.pymol.org/index.php?action=history&feed=atom&title=Get_raw_distances 2026-06-19T17:24:33Z Revision history for this page on the wiki MediaWiki 1.35.1 https://wiki.pymol.org/index.php?title=Get_raw_distances&diff=7997&oldid=prev 2014-03-28T02:16:26Z

<p>1 revision</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 02:16, 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=Get_raw_distances&diff=7996&oldid=prev 2012-07-31T07:48:35Z

<p>Infobox psico</p> <p><b>New page</b></p><div>{{Infobox script-repo<br /> |type = module<br /> |filename = get_raw_distances.py<br /> |author = [[User:TakanoriNakane|Takanori Nakane]] and [[User:Speleo3|Thomas Holder]]<br /> |license = BSD-2-Clause<br /> }}<br /> <br /> {{Infobox psico<br /> |module = psico.querying<br /> }}<br /> <br /> [[get_raw_distances]] can dump distance objects, created with [[distance]].<br /> <br /> This script also provides the command '''select_distances''', which selects atoms from distance objects.<br /> <br /> ''Warning: the atoms are hashed by coordinates; this could cause issues if coordinates are altered after distance objects have been created (see also [[dynamic_measures]] setting).''<br /> <br /> == Usage ==<br /> <br /> get_raw_distances [ names [, state [, selection ]]]<br /> <br /> select_distances [ names [, name [, state [, selection [, cutoff ]]]]]<br /> <br /> == Arguments ==<br /> <br /> * '''names''' = string: names of distance objects (no wildcards!) {default: all measurement objects}<br /> * '''state''' = integer: object state {default: 1}<br /> * '''selection''' = string: atom selection {default: all}<br /> <br /> == Example ==<br /> <br /> &lt;syntaxhighlight lang=&quot;python&quot;&gt;<br /> fetch 2xwu, async=0<br /> <br /> # interface polar contacts<br /> distance iface_hbonds, chain A, chain B, mode=2<br /> <br /> # dump (model,index) information<br /> get_raw_distances iface_hbonds<br /> &lt;/syntaxhighlight&gt;<br /> <br /> == Example Atom Selection ==<br /> <br /> &lt;syntaxhighlight lang=&quot;python&quot;&gt;<br /> # select atoms<br /> select_distances iface_hbonds, hbsele<br /> <br /> # nice representation<br /> set cartoon_side_chain_helper<br /> set sphere_scale, 0.5<br /> as cartoon, 2xwu<br /> show sticks, byres hbsele<br /> show spheres, hbsele<br /> &lt;/syntaxhighlight&gt;<br /> <br /> == See Also ==<br /> <br /> * [[distance]]<br /> * [[dynamic_measures]]<br /> * [[find_pairs]]<br /> * [[get_raw_alignment]]<br /> <br /> [[Category:Script Library]]<br /> [[Category:ObjSel_Scripts]]<br /> [[Category:Pymol-script-repo]]</div>

Speleo3