Resolved:

Boaz kindly pointed me to the Refmac instructions on Garib's site 

https://www2.mrc-lmb.cam.ac.uk/groups/murshudov/content/refmac/refmac_keywor
ds.html#id.r2gu4ckb7nka

which show the proper command line (an example below):

restraint exclude residue 403 A *

Works.

 

Many thx, BR

 

Btw: None of the links from ccp4i 'classic' that I found actually point to
this full document.

----------------

Hi Fellows,

 

is there a way (keyword based) to refine in Refmac - given near atomic
resolution - a part of the model (protein chain) restrained, 

and another part (to check for ligand explosivity, for example)
unrestrained? 

 

Best, BR

------------------------------------------------------

Bernhard Rupp

 <http://www.hofkristallamt.org/> http://www.hofkristallamt.org/

b...@hofkristallamt.org <mailto:b...@hofkristallamt.org> 

+1 925 209 7429

+43 676 571 0536

------------------------------------------------------

Many plausible ideas vanish 

at the presence of thought

------------------------------------------------------

 


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