[chemfp] chemfp_converters (fingerprint file format converters)
Andrew Dalke
dalke at dalkescientific.com
Fri Feb 9 19:37:35 EST 2018
Hi all,
I've released a package to convert between the chemfp formats and other fingerprint file formats.
The code is at http://dalkescientific.com/releases/chemfp_converters-0.9.tar.gz . The project page is at https://bitbucket.org/dalke/chemfp_converters .
The currently supported formats are:
- Open Babel FastSearch
- Dave Cosgrove's Flush file format
- OpenEye's OEFastFingerPrint database format
It supports Python 2.7/chemfp-1.3, Python 2.7/chemfp-3.1, and Python 3.5+/chemfp-3.1.
I don't think there are many people who need this functionality, but if you are one, let me know of any feedback.
Are there other formats I should support?
Cheers,
Andrew
dalke at dalkescientific.com
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