[phenixbb] too many outliers

intekhab alam faisaldbg at gmail.com
Fri Aug 13 00:44:21 PDT 2010


Hi there
I have recently solved a structure at 2.71A resolution using CCP4 (Refmac5)
with R and R free of 22 and 29 respectively. The model is nicely fitted in
the map and everything looks except in some loop region where the map is not
fitted well. I just finished modelling and checked ramachandran plot which
is showing unreasonably high number of outliers (12%) with only 65% in the
favoured region. I am thinking to use phenix_refine with  simulated
annaeling and using the option fix bad chain rotamers. What else i can
do aprt from this. i will be highly thankful for the suggestions. Apart from
this can anyone let me know how

-- 
INTEKHAB ALAM
LABORATORY OF STRUCTURAL BIOINFORMATICS
KOREA UNIVERSITY, SEOUL
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