Convert cheminformatics fingerprint files to/from the chemfp formats
A Python library and set of command-line tools to convert cheminformatics fingerprint files from/to the chemfp FPS format.
The supported formats are:
- fs2fps, fps2fs – Open Babel’s “FastSearch” format
- flush2fps, fps2flush – Dave Cosgrove’s “flush” format
- fpbin2fps, fps2fpbin – OpenEye’s OEFastFPDatabase “fpbin” format
These converters have many features though they are of are beta quality. They have only been lightly tested and there is still some code cleanup to do.