Re: [Open Babel] MACCS fingerprint

2014-05-19 Thread Geoffrey Hutchison
> I am using OpenBabel program to calculate the 166 bits MACCS fingerprint for > some coumponds and got a result with 256 bits in API after convert > hexadecimal to binary. By default, the fingerprints are "folded" to certain bit lengths. http://open-babel.readthedocs.org/en/latest/FileFormats/

[Open Babel] MACCS fingerprint

2014-05-19 Thread Pedro Reis
Greetings, My name is Pedro Reis and i am a student of Industrial Pharmaceutical Chemistry in Coimbra, Portugal. I am using OpenBabel program to calculate the 166 bits MACCS fingerprint for some coumponds and got a result with 256 bits in API after convert hexadecimal to binary. I wonder if it was