[ccp4bb] Problem with understanding mtz and hkl files of S SAD data

Dear all, I am trying to solve a protein structure via S SAD phasing. I have the ASCII.HKL file, but whenever I opened the text file I couldn't understand which one is the F+ and F- values. Also, how can I read and analyze an mtz file? I tried using the MTZ2VARIOUS program in CCP4, where I changed

Re: [ccp4bb] Problem with understanding mtz and hkl files of S SAD data

Hi there, I assume you processed the data with XDS. If so, you can use xdsconv to convert the file other formats, including mtz To analyze (view?) an mtz file you can use mtzdump. MTZ2Various is a format conversion program, just like xdsconv. You can convert directly to SCALEPACK format

Re: [ccp4bb] Problem with understanding mtz and hkl files of S SAD data

Shelxc/d/e require text files (either SHELX hkl or SCALEPACK sca format), not binary files like mtz. You can convert directly the XDS_ASCII.HKL from XDS to SHELX hkl with XDSCONV, which you can then input to shelxc to begin the pipeline. You still need to supply cell parameters and space

Re: [ccp4bb] Problem with understanding mtz and hkl files of S SAD data

mtzdump is a command line tool, so you have run it from a terminal. There is also a shorthand version for lazy people like me (notice the missing 'u'): mtzdmp something.mtz Cheers, Robbie > -Original Message- > From: CCP4 bulletin board On Behalf Of > Rituparna Saha > Sent: Tuesday,

[ccp4bb] you do this

mtzdump hklin a.mtz end And you get this output Look at the BOLD bit Name of file Cell and spacegroup Column labels. In this case the file I downloaded from the PDB only has F and SIGF Resolution etc.. mbat:Paul-5ACs eleanor$ *mtzdump hklin

Re: [ccp4bb] Problem with understanding mtz and hkl files of S SAD data

If you run mtzdump hklin your.mtz the first output is descriptive. Have you done that? You will get "header" information about cell, selected symmetry, etc, and a list of labels for the columns That will start H K L then maybe F+ SIGF+ F- SIGF- or I+ SIGI+ I_ SIGI- or something else. Can you

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Re: [ccp4bb] Problem with understanding mtz and hkl files of S SAD data

Thank you for the suggestions. I had searched the mtzdump in CCP4i, but didn't find any, I only found the mtz2various program. I am using the Shelxc/d/e suite. I had converted the ASCII.HKL file (the one that I had mentioned before) to mtz using Pointless. Then, when I used this file to run

Re: [ccp4bb] Problem with understanding mtz and hkl files of S SAD data

Dear Saha, If you are not used to use ccp4 with the command line, you first need to tell your computer where to find the ccp4 programs by using the command "source". For example, I am working on a Mac, where ccp4 is installed in the Applications folder, so in a terminal I just have to run

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