Hi all,

  I've just released a package which converts different fingerprint file 
formats from/to chemfp's FPS format.

The programs fs2fps and fps2fs support conversion from/to Open Babel's 
"FastSearch" format.

I don't think there are many people who need this sort of conversion, but if 
you are one, give it a try and let me know.

If you are only working with FastSearch files then you still might be 
interested in using fs2fps to see what's inside of your .fs file, either by 
converting it to an FPS file, or by using the --dump option, which gives more 
details about the header and shows the structure record offset for each 
fingerprint. Here's an example:

% fs2fps --dump ~/databases/chembl_23.fs | head -11
** Header from '/Users/dalke/databases/chembl_23.fs'.
Header length: 284
#entries: 1727112
#words/fp: 32 (#bits/fp: 1021)
Open Babel fingerprint type: 'FP2'
chemfp fingerprint type: 'OpenBabel-FP2/1'
datafile filename: 'chembl_23.sdf.gz'
** End of header. Start of fingerprint records.
index   offset  fingerprint
0       0       
1       978     

The code is available from 
http://dalkescientific.com/releases/chemfp_converters-0.9.tar.gz .

The project home page is https://bitbucket.org/dalke/chemfp_converters .

Best regards,


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