[Open Babel] Help: everything compile well... But no results

--- I link this small program with 1) Include files: openbabel-2.3.0\windows-vc2008\build\include openbabel-2.3.0\windows-vc2008\include openbabel-2.3.0\include 2) Source file: openbabel-2.3.0\src 3) Lib file: openbabel-2.3.0\windows-vc2008\build\src\Release\openbabel-2.lib openbab

[Open Babel] Need complementary information on FP2

description of FP2, same kind of fragment, even finding a number of time in a molecule, is store 1 time or each time meet as I suppose? Any help will be really appreciate Best regards, Marianne -- View this message in context: http://forums.openbabel.org/Need-complementary-information-on-FP2

Re: [Open Babel] Need complementary information on FP2

Thank you Ernst-Georg a lot, great help. I am more aware now, and I code it. Thanks a lot Marianne Le 16 déc. 2011 à 12:48, Ernst-Georg Schmid a écrit : > Hi, > > from the finger2.cpp source: > > For each of these fragments the atoms, bonding and whether > they constitu

Re: [Open Babel] Need complementary information on FP2

Many thanks Chris, it is helpful. I see it Best regards Marianne Le 16 déc. 2011 à 13:15, Chris Morley a écrit : > On 16/12/2011 11:01, Marianne wrote: >> Dear all, >> >> In order to have fingerprint of reactions, is it possible to make >> fingerprint (FP2) di