[buster-discuss] Restrained geometry

xgrcri at ibmb.csic.es xgrcri at ibmb.csic.es
Mon Feb 5 13:04:36 CET 2018

Dear Buster List,

we are currently working with a very large low-resolution structure and 
using BUSTER/TNT for refinement and map calculation.

Given the limitation of the resolution, we would be very interested in 
applying enhanced rotamer, geometric (for bond lengths and

angles) and Ramachandran restraints, as the evaluation with MOLPROBITY 
after each refinement cycle gives a very high number of

outliers despite a good overall Clashscore (6.14; 100%) and Molprobity 
Score (2.63; 96%). Is there a way to impose such restraints?

Thanks a lot in advance,

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