Hi,
Can pseudo-translational symmetry inflate the HYSS LLG scores assigned to a sub-structure? I'm getting scores of 2800 with a cc<0.1, see below:
Showing top 10 structures
p=007 f=001 ess=( 2440.076 (llg) 0.092 (cc) ) r=000 score=( 2440.076 (llg) 0.092 (cc) ) Sites: 2
p=006 f=000 ess=( 2440.076 (llg) 0.092 (cc) ) r=000 score=( 2440.076 (llg) 0.092 (cc) ) Sites: 2
p=008 f=000 ess=( 2440.076 (llg) 0.092 (cc) ) r=000 score=( 2440.076 (llg) 0.092 (cc) ) Sites: 2
p=000 f=002 ess=( 2440.076 (llg) 0.092 (cc) ) r=000 score=( 2440.076 (llg) 0.092 (cc) ) Sites: 2
p=001 f=002 ess=( 2440.076 (llg) 0.092 (cc) ) r=000 score=( 2440.076 (llg) 0.092 (cc) ) Sites: 2
p=006 f=002 ess=( 2440.076 (llg) 0.092 (cc) ) r=000 score=( 2440.076 (llg) 0.092 (cc) ) Sites: 2
p=006 f=001 ess=( 2440.076 (llg) 0.092 (cc) ) r=000 score=( 2440.076 (llg) 0.092 (cc) ) Sites: 2
p=001 f=000 ess=( 2440.077 (llg) 0.092 (cc) ) r=000 score=( 2440.077 (llg) 0.092 (cc) ) Sites: 2
p=007 f=002 ess=( 2451.969 (llg) 0.092 (cc) ) r=000 score=( 2451.969 (llg) 0.092 (cc) ) Sites: 3
p=002 f=000 ess=( 2451.978 (llg) 0.092 (cc) ) r=000 score=( 2451.978 (llg) 0.092 (cc) ) Sites: 3
The structure is not solved.
Best wishes,
Reza
Reza Khayat, PhD
Assistant Professor
City College of New York
Department of Chemistry
New York, NY 10031
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