https://cyana.org/w/index.php?action=history&feed=atom&title=CYANA_Variables%3A_expand 2026-04-20T02:23:25Z Revision history for this page on the wiki MediaWiki 1.45.1 https://cyana.org/w/index.php?title=CYANA_Variables:_expand&diff=5024&oldid=prev 2009-01-28T23:35:48Z

<p>1 revision</p> <p><b>New page</b></p><div><br /> Initial value: 1<br /> <br /> This variable controls the automatic, internal expansion of distance<br /> restraints that involve pseudoatoms into ambiguous distance restraints<br /> with the corresponding hydrogen atoms. If the variable has the value 1,<br /> the expansions will take place, if it has the value 0, no expansions<br /> will be made and distance restraints involving pseudo atoms will be<br /> used as they are.<br /> <br /> For instance, if expand = 1, an input restraint between HA and QB of<br /> Ala will effectively be interpreted as an ambiguous distance restraint<br /> with the three assignments HA-HB1, HA-HB2, and HA-HB3, and it is the<br /> r^-6 sum of these three distances that will be checked against the<br /> upper distance bound. Alternatively, if expand = 0, it is the single<br /> distance HA-QB that will be checked against the upper distance bound.</div>

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