Hi all, I've just release chemfp-3.5b1 with more complete support for CDK in chemfp.
I'm looking for friendly users to try it out and provide feedback. For installation directions see https://chemfp.com/chemfp-35b1-is-available.html . Most of the additional work since the experimental release I announced in November went into adding tests and handling various error conditions. The current version should be pretty well tested. BTW, I had to drop support for some of the formats, like XYZ and PDB, because I couldn't figure out how to use them to read a structure into a form that could be use to generate fingerprints. If anyone needs them and can tell me how to handle those cases correctly, do let me know. Best regards, Andrew da...@dalkescientific.com _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
