Dear: In types.txt file which is used by data.cpp:OBTypeTable, there are a lot of atom type. How do I know what's mean of atom type?
for example, C3 may mean [#6^3]. So how do I know what's mean of the extra atoms; is there a list to explain them. I want to use them to match the atom type in opls-aa forcefield. Very thanks! Regards Hugh -- View this message in context: http://forums.openbabel.org/How-do-I-know-what-s-mean-of-atom-type-tp3777821p3777821.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Special Offer -- Download ArcSight Logger for FREE! Finally, a world-class log management solution at an even better price-free! And you'll get a free "Love Thy Logs" t-shirt when you download Logger. Secure your free ArcSight Logger TODAY! http://p.sf.net/sfu/arcsisghtdev2dev _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
