GitHub - gonenlab/Fcompare: programs for comparing structure factors from different files

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programs for comparing structure factors from different files

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Name		Name	Last commit message	Last commit date
Latest commit History 2 Commits
4axt-sf.cif		4axt-sf.cif
CIF-CIF-comp.py		CIF-CIF-comp.py
CIF-MTZdump-comp.py		CIF-MTZdump-comp.py
EM-CIF-comp.py		EM-CIF-comp.py
EM-EM-comp.py		EM-EM-comp.py
EM-MTZdump-comp.py		EM-MTZdump-comp.py
MTZdump-MTZdump-comp.py		MTZdump-MTZdump-comp.py
README		README
inhouse_lysozyme.cif		inhouse_lysozyme.cif
microED_dataset.txt		microED_dataset.txt
mosflm_rot.txt		mosflm_rot.txt
mosflm_stills.txt		mosflm_stills.txt

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** Programs to compare structure factors for a variety of wonky file formats **
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Matt Iadanza 2015-01-10

Each program has a section of varibles that the user has to edit before running.



* cif files: from the pdb and our home source manually remove any header information

* MTZdump files:  To prepare one of these files from a MTZ run this command from the unix shell:
            
            phenix.mtz.dump -f s -c [mtz_filename] > [output_filename]

The column that contains the structure factors seems to be different every time so programs that use them have a variable that defines which column contains the structure factor.
    
* microED data from matt's programs: the output from any of Matt's merging programs which is tab delineated in the following format:

    h k l F sigF I sigI
    
    
Each program outputs a csv file with each spot that appears in both input files, the F value from each and the ratio of the two.
ENJOY!