Re: [ccp4bb] Fix sidechain outliers

2017-09-04 Thread Diana Tomchick
Fitmunk works pretty well in the initial stages of model fitting. You will still need to manually check the results of any automated model fitting program to see if it makes sense; your brain is still your best tool, in the final analysis. Diana > On Sep 4, 2017, at 1:29 PM, Dominika Borek

Re: [ccp4bb] Fix sidechain outliers

2017-09-04 Thread Ruud Hovius
Hello Rohit, did you inspect the structure and map in Coot ; are the outliers really outliers, are other orientations possible? In Coot there are several options, e.g. - under Extensions -> all molecule-> Fit protein, step refine or optimize Ramachandran - using the icons on the right side of

Re: [ccp4bb] Fix sidechain outliers

2017-09-04 Thread Dominika Borek
You may try Fitmunk for side chains: http://kniahini.med.virginia.edu/fitmunk/server/ D. On 2017-09-04 09:36 AM, rohit kumar wrote: Dear All, Could anyone help me, how I can fix my sidechain outliers or clashscore in coot or in CCP4 tools. Or by using any online severs. Its urgent Thank

[ccp4bb] Fix sidechain outliers

2017-09-04 Thread rohit kumar
Dear All, Could anyone help me, how I can fix my sidechain outliers or clashscore in coot or in CCP4 tools. Or by using any online severs. Its urgent Thank You in advance -- WITH REGARDS Dr. Rohit Kumar Singh School of Life Sciences, Jawaharlal Nehru University New Delhi -110067