[cctbxbb] align density maps
Peter Schmidtke
peter_schmidtke at gmx.de
Tue Jul 2 12:33:08 PDT 2019
Cool,
thanks a lot Pavel,
I’ll try to understand that a bit further. From what I can see, I could very well also read the A and B.ccp4 from an outside file and use the same subsequent code to run the super positioning, right?
Thanks again, that’s really helpful.
Peter
> On 2 Jul 2019, at 21:09, Pavel Afonine <pafonine at lbl.gov> wrote:
>
> Hi Peter,
>
> I'm attaching example code that does it.
>
> Pavel
>
> On 7/2/19 00:13, Peter Schmidtke wrote:
>> Hi all,
>>
>> I'm trying to find sample code or documentaiton on how to do the following:
>>
>> I have a density map and a rotation/translation matrix (numpy matrix) and I'd like to apply it to the density map at hand and write the transformed map again. I know that phenix allows to superimpose structures and underlying densities but I couldn't find how to do this programatically with cctbx.
>>
>> Thanks in advance for your help
>>
>> Peter Schmidtke
>>
>
> <pheA.pdb><pheB.pdb><run.py>
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