Hey there, I am not sure if this question should go into users or developers but I will first try here. Accept my apologies if this does not concern you and maybe you could fwd this email to someone who could help me out. I am looking to convert MTZ files into ccp4 map files (using Python). Is there an extension of Chimera that allows that? Can you please point out some documentations about the issue? Thanks in advance for your help and time, Eran.
Hi Eran, MTZ files contain crystallographic reflection data (intensities of diffraction spots). Chimera cannot do anything with reflection data. To get a density map requires a Fourier transform of the reflections. That requires determining phases which is not trivial and involves combining multiple experimental data sets. The CCP4 software suite is used to calculate density maps. http://www.ccp4.ac.uk/html/INDEX.html Once the phases are known the CCP4 fft program does the Fourier transform. http://www.ccp4.ac.uk/html/fft.html There is a web server which provides density maps from PDB structure factor files containing reflection data (including phases): http://fsrv1.bmc.uu.se/eds/ Tom
participants (2)
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Eran Shacham -
Thomas Goddard