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Hi Jianghai,<br>
<br>
the defaults implemented for refinement using NCS are very close to
those in CNS and works good in most of the cases. I will work on making
it straightforward to use the variable weights, so one can use from
loose to tight restraints. This is in to-do list.<br>
<br>
Currently you can use coordinate_sigma and b_factor_weight parameters
(that are specified *outside* the restraint_group scope) to set this
weights globally for all groups.<br>
<br>
Pavel.<br>
<br>
<br>
Jianghai Zhu wrote:
<blockquote
cite="mid812138C0-11B6-47C3-88FC-1106A751D36F@cbr.med.harvard.edu"
type="cite">Hi,
<div><br class="khtml-block-placeholder">
</div>
<div>I am wondering how the NCS weighting in phenix.refine works. I
guess the default values (coordinate_sigma = 0.05, b_factor_weight =
10) are pretty tight. What kind values would be appropriate for medium
and loose NCS?</div>
<div><br class="khtml-block-placeholder">
</div>
<div>Jianghai</div>
<div><br class="khtml-block-placeholder">
</div>
<div>
<div> <span class="Apple-style-span"
style="border-collapse: separate; border-spacing: 0px; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-indent: 0px; text-transform: none; orphans: 2; white-space: normal; widows: 2; word-spacing: 0px;"><span
class="Apple-style-span"
style="border-collapse: separate; border-spacing: 0px; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-indent: 0px; text-transform: none; orphans: 2; white-space: normal; widows: 2; word-spacing: 0px;"><span
class="Apple-style-span"
style="border-collapse: separate; border-spacing: 0px; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-indent: 0px; text-transform: none; orphans: 2; white-space: normal; widows: 2; word-spacing: 0px;"><span
class="Apple-style-span"
style="border-collapse: separate; border-spacing: 0px; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-indent: 0px; text-transform: none; orphans: 2; white-space: normal; widows: 2; word-spacing: 0px;"><span
class="Apple-style-span"
style="border-collapse: separate; border-spacing: 0px; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-indent: 0px; text-transform: none; orphans: 2; white-space: normal; widows: 2; word-spacing: 0px;"><span
class="Apple-style-span"
style="border-collapse: separate; border-spacing: 0px; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-indent: 0px; text-transform: none; orphans: 2; white-space: normal; widows: 2; word-spacing: 0px;"><span
class="Apple-style-span"
style="border-collapse: separate; border-spacing: 0px; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; text-indent: 0px; text-transform: none; orphans: 2; white-space: normal; widows: 2; word-spacing: 0px;">
<div>+++++++++++++++++++++++++++++++</div>
<div>Jianghai Zhu, Ph.D</div>
<div>CBR Institute for Biomedical Research</div>
<div>Department of Pathology</div>
<div>Harvard Medical School</div>
<div>200 Longwood Ave., Boston, MA 02115</div>
<div>Ph: 617-278-3211</div>
<div>Fx: 618-278-3232</div>
<div>+++++++++++++++++++++++++++++++</div>
<div><br class="khtml-block-placeholder">
</div>
<br class="Apple-interchange-newline">
</span></span></span></span></span></span></span> </div>
<br>
</div>
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