er TLS
>>>>> group selections and see if these give nicer results. Things
>>>>> to try: TLSMD, including or excluding ligands and
>>>>> carbohydrates, other common-sense or gut-feeling structure
>>>>> partitionings. If you have a lot of differ
other common-sense or gut-feeling structure
>>>> partitionings. If you have a lot of different groupings to
>>>> test, you can reset the B-factor and do pure TLS refinement
>>>> (i.e. 0 cycles of restrained refinement) for all of them. You
>>>> c
all TLS groups selections.
>>>
>>> Cheers,
>>> Robbie
>>>
>>> Sent from my Windows Phone
>>>
>>> Van: Omid Haji-Ghassemi
>>> Verzonden: 8-8-2013 21:55
>>> Aan: CCP4BB@JISCMAIL.AC.UK
hen trying your final
> > refinement with all TLS groups selections.
> >
> > Cheers,
> > Robbie
> >
> > Sent from my Windows Phone
> > ________
> > Van: Omid Haji-Ghassemi
> > Verzonden: 8-8-2013 21:55
> > Aan: CCP4
assemi
> Verzonden: 8-8-2013 21:55
> Aan: CCP4BB@JISCMAIL.AC.UK
> Onderwerp: Re: [ccp4bb] TLS refinement and ANISOU records
>
> Dear Ethan,
>
> Thank you for your reply.
>
> I will try to review my refinement protocol once more; however, I am still
> perplexed at what
inal refinement with all TLS groups selections.
Cheers,
Robbie
Sent from my Windows Phone
Van: Omid Haji-Ghassemi
Verzonden: 8-8-2013 21:55
Aan: CCP4BB@JISCMAIL.AC.UK
Onderwerp: Re: [ccp4bb] TLS refinement and ANISOU records
Dear Ethan,
Thank you for your reply.
Dear Ethan,
Thank you for your reply.
I will try to review my refinement protocol once more; however, I am still
perplexed at what lies at the heart of the problem.
Overestimation of average B-factor using TLS is perfectly sound, but I am
not sure why all my structures the average increases trem
On Thursday, August 08, 2013 11:39:22 am Omid Haji-Ghassemi wrote:
> Dear all,
>
> I was about to deposit a few structures to the pdb when I noticed the mean
> B-factors were larger than one might expect.
>
> All the structures were refined using TLS refinement.
>
> During refinement in Refmac t
Dear all,
I was about to deposit a few structures to the pdb when I noticed the mean
B-factors were larger than one might expect.
All the structures were refined using TLS refinement.
During refinement in Refmac the average temperature factors for each
structure is reasonable. For example, a str
