Dear All, If a protein contains 6 subunits, 4 subunits from the same sequence
(subunit A, B, C, D all from the same sequence), each of the 2 other subunits
from 2 diffrent sequences (subunit E from the second sequence, subunit F from
the third sequence), in this situation should I use NCS restr
yes.
Have two sets of NCS operators one that describe the four subunits and one
describing the two subunits. If during the refinement of your structure you
should find out that the subunits are not identical to each other you can relax
the NCS weights.
Jürgen
..
Jürgen Bosch
Dear Jurgen,
My understanding is that NCS restraint can significantly enhance the speed of
calculation, but considering the subunits even with the eactly same sequence
may not be identical, to have NCS restraint may be not necessary or may be not
good for the refinement, am I right?
Smith
to:CCP4BB@JISCMAIL.AC.UK>
Onderwerp: Re: [ccp4bb] on NCS restraint
Dear Jurgen,
My understanding is that NCS restraint can significantly enhance the speed of
calculation, but considering the subunits even with the eactly same sequence
may not be identical, to have NCS restraint may be not necessary o
://xtal.nki.nl/PDB_REDO
>
> Sent with my Windows Phone
> --
> Van: Smith Liu
> Verzonden: 17-4-2015 06:03
> Aan: CCP4BB@JISCMAIL.AC.UK
> Onderwerp: Re: [ccp4bb] on NCS restraint
>
> Dear Jurgen,
>
> My understanding is tha
My understanding is that NCS restraint can significantly enhance the speed
> of calculation, but considering the subunits even with the eactly same
> sequence may not be identical, to have NCS restraint may be not necessary
> or may be not good for the refinement, am I right?
>
Non-crystallograph
orge Sheldrick.
Steven
--
Date:Mon, 20 Apr 2015 10:38:27 +
From: Reza Khayat mailto:rkha...@ccny.cuny.edu>>
Subject: Re: [ccp4bb] on NCS restraint
Hi,
The purpose of NCS is to reduce the degrees of freedom in order to avoid over
refineme
Subject: Re: [ccp4bb] on NCS restraint
Hi,
The purpose of NCS is to reduce the
degrees of freedom in order to avoid over refinement -not only
to expedite refinement. Strict or restrained NCS should be
applied at lower resolutions (<
AC.UK
Subject: Re: [ccp4bb] on NCS restraint
Hi all,
We have carried out a large-scale test of the use of Refmac's NCS-restraints
during model building with ARP/wARP. We have found advantageous to have such
restraints turned on with data resolution extending to as high as 1.5 A.
Victor
On
IL.AC.UK
Subject: Re: [ccp4bb] on NCS restraint
Hi all,
We have carried out a large-scale test of the use of
Refmac's NCS-restraints during model building with ARP/wARP.
We have found ad
t I guess my unconscious got the better of me.
Steven
From: Victor Lamzin [mailto:vic...@embl-hamburg.de]
Sent: Tuesday, April 21, 2015 9:07 AM
To: Sheriff, Steven; CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] on NCS restraint
Hi all,
We have carried out a large-scale test of the use of Refma
an 2.0 Å
resolution, including NCS restraints would probably not make a big difference,
but otherwise I would switch them on.
Best,
Herman
Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Smith Liu
Gesendet: Freitag, 17. April 2015 06:02
An: CCP4BB@JISCMAIL.AC.UK
Betreff:
g von Smith Liu
Gesendet: Freitag, 17. April 2015 06:02
An: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK>
Betreff: Re: [ccp4bb] on NCS restraint
Dear Jurgen,
My understanding is that NCS restraint can significantly enhance the speed of
calculation, but considering the subunits even with the
respect to strict NCS.
It is much less common now, but I still find the odd new one :(
Cheers,
Robbie
Date: Mon, 20 Apr 2015 08:01:26 +
From: herman.schreu...@sanofi.com
Subject: [ccp4bb] AW: [ccp4bb] on NCS restraint
To: CCP4BB@JISCMAIL.AC.UK
Dear Smith,
There used to be someth
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