;>>>> will show very weak features.
>>>>>
>>>>> My guess is that your ligand is present in partial occupancy and that
>>>>> you will find it in your 2Fo-Fc map when you scroll down your contour
>>>>> level. If you s
y and that
you will find it in your 2Fo-Fc map when you scroll down your contour
level. If you see convincing Fo-Fc density without a ligand being
fitted, the presence of the ligand must be real and you can fit it.
However, I would refine a group occupancy for your ligand.
Best,
Herman
*Von:
it
>>>> will show very weak features.
>>>>
>>>> My guess is that your ligand is present in partial occupancy and that
>>>> you will find it in your 2Fo-Fc map when you scroll down your contour
>>>> level. If you see convincing Fo-Fc density without a ligand being
level. If you see convincing Fo-Fc density without a ligand being fitted,
>>> the presence of the ligand must be real and you can fit it. However, I
>>> would refine a group occupancy for your ligand.
>>>
>>>
>>>
>>> Best,
>>>
>>> Herma
and must be real and you can fit it. However, I would refine a
>> group occupancy for your ligand.
>>
>>
>>
>> Best,
>>
>> Herman
>>
>>
>>
>>
>>
>> Von: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] Im Auftrag von Amlan
endet: Montag, 10. März 2014 09:09
> An: CCP4BB@JISCMAIL.AC.UK
> Betreff: [ccp4bb] regarding Fo-Fc map in coot
>
>
>
> Dear All,
>
> Some times during model building in coot we have found that at the position
> of ligand molecules and water, there is a good Fo-Fc map (above 3 sig
ncy for your ligand.
>>
>>
>>
>> Best,
>>
>> Herman
>>
>>
>>
>>
>>
>> *Von:* CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] *Im Auftrag
>> von *Amlan Roychowdhury
>> *Gesendet:* Montag, 10. März 2014 09:09
>> *An:* CC
chowdhury
> *Gesendet:* Montag, 10. März 2014 09:09
> *An:* CCP4BB@JISCMAIL.AC.UK
> *Betreff:* [ccp4bb] regarding Fo-Fc map in coot
>
>
>
> Dear All,
>
> Some times during model building in coot we have found that at the
> position of ligand molecules and water, there is a go
Auftrag von Amlan
Roychowdhury
Gesendet: Montag, 10. März 2014 09:09
An: CCP4BB@JISCMAIL.AC.UK
Betreff: [ccp4bb] regarding Fo-Fc map in coot
Dear All,
Some times during model building in coot we have found that at the position of
ligand molecules and water, there is a good Fo-Fc map (above 3
Hi Amlan,
given that it should not depend on which school of thought you follow:
2*(Fo-Fc) + Fc vs Fo + (Fo-Fc), you should be able to see the same thing at
appropriately chosen contouring levels in both maps, I think... (I could be
wrong at this time of the night, of course!)
Pavel
On Mon, Mar
Dear All,
Some times during model building in coot we have found that at the position
of ligand molecules and water, there is a good Fo-Fc map (above 3 sigma),
devoid of any 2Fo-Fc map.
1.What does it physically mean and why the 2Fo-Fc map was not generated
properly?
2. Can we fit ligand molecul
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