Hi There, I would like to use Babel to assign charges to a Metal Organic Framework structure. I do not need any format conversion. I have used the following command with Open Babel 2.3.0 -- Oct 26 2010
babel --partialcharge gasteiger -imol2 mof1.mol2 -omol2 mofm.mol2 and got no output file but the message 0 molecules converted 6 audit log messages What am I doing wrong here? Any hint is appreciated, Th. -- View this message in context: http://forums.openbabel.org/problems-assigning-charges-with-Babel-tp3339920p3339920.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ What You Don't Know About Data Connectivity CAN Hurt You This paper provides an overview of data connectivity, details its effect on application quality, and explores various alternative solutions. http://p.sf.net/sfu/progress-d2d _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
