Re: [Open Babel] Best approach for removing a molecule from a complex

2012-05-14 Thread My Th
Sv, 2012-05-13 20:49 -0700, inviso rakstīja: > As a disclaimer, I'm an amazingly poor excuse for a chemist. In this > case, I'm simply a programming resource in a research project so > please forgive any amateur mistakes or abuses of terminology. The > project is being done in Python using pybel.

Re: [Open Babel] fingerprints

2012-05-14 Thread Björn Grüning
Am Sonntag, den 13.05.2012, 20:34 -0700 schrieb sandeep: > hello evryone, > > How FP4 and MACCS fingerprints differ from each other ? The underlying substructures are different. Please see: http://openbabel.org/wiki/Tutorial:Fingerprints Kind regards, Bjoern > -- > View this message in