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I have a .map file which contains x-ray crystallography data of a bacteriophage. The format of the file is CCP4. I can open the file using VMD. However, I am unable to get the xyz co-ordinates. It shows the following error when I click on the option of saving data in xyz format:

`No timesteps selected; trajectory file will not be written.'

It is a big file of 64MB.

The file I am referring to may be downloaded at: ftp://ftp.ebi.ac.uk/pub/databases/emdb/structures/EMD-1086/map/emd_1086.map.gz

Can't we save xyz co-ordinates for CCP4 files? Or is it possible to extract any other form of data?

I am new to VMD and these formats. Any help would be appreciated.

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  • $\begingroup$ It's an electron density map. What xyz coordinates do you want to extract? $\endgroup$
    – marcin
    Commented Jul 3, 2015 at 11:05

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Just Download and Install: CCP4: Software for Macromolecular Crystallography

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  • $\begingroup$ CCP4 is a suite of 200+ programs, just installing it won't solve any problem. $\endgroup$
    – marcin
    Commented Oct 14, 2015 at 10:31

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