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
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
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
Hi Peter, the script is just a self-consistent toy example.. Surely you can read maps or Fourier map coefficients instead of computing them from input model as in this example.
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?
Correct!
Thanks again, that’s really helpful.
No problems -;) Pavel
participants (2)
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Pavel Afonine
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Peter Schmidtke