<div dir="ltr">$CCP4/lib<br><div class="gmail_extra"><br><div class="gmail_quote">On Wed, Jan 10, 2018 at 5:53 PM, Pavel Afonine <span dir="ltr"><<a href="mailto:pafonine@lbl.gov" target="_blank">pafonine@lbl.gov</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><br>
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ideal O3'-C3' bond in *geo is 1.422, which interestingly matches C3*-O3* in `modules/chem_data/geostd/t/da<wbr>ta_TD.cif`.<br>
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This is expected. I would be worried if they didn't match. So, 1.422 is what actually used.<br>
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`elbow.where_is_that_cif_file DT` pointed me to `${CLIB}/data/monomers/d/DT.ci<wbr>f`, where O3'-C3' is (now, but may be not at time of *geo generation) 1.431.<br>
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What is ${CLIB} ? I'm wondering because Phenix distribution does not have "data/monomers" folders (if I remember correctly).<span class="m_-5761680062829920146HOEnZb"><font color="#888888"><br>
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Pavel<br>
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