On Sat, Jul 31, 2010 at 1:40 AM, David Lonie <lonieda...@gmail.com> wrote: > On Fri, Jul 30, 2010 at 1:06 PM, Geoffrey Hutchison <geo...@pitt.edu> wrote: >> Hans De Winter and Silicos whipped up a 2-page quick reference PDF intended >> to be printed double-sided on one sheet of paper. They wish to distribute it >> at EuroQSAR, and I've suggested distributing it at the ACS Boston meeting. >> >> Please let us know what you think, and any suggestions for improvement. > > I like the look and love the idea. One thing that caught my eye, > should there be a call to OBForceField::MakeInstance() before > performing the calculations? I've always had to do this -- am I making > it too complicated, or do the docs need updating?
FindForceField returns a singleton instance. MakeInstance can optionally be used to create a new instances. >> -Geoff >> >> >> ------------------------------------------------------------------------------ >> The Palm PDK Hot Apps Program offers developers who use the >> Plug-In Development Kit to bring their C/C++ apps to Palm for a share >> of $1 Million in cash or HP Products. Visit us here for more details: >> http://p.sf.net/sfu/dev2dev-palm >> _______________________________________________ >> OpenBabel-Devel mailing list >> OpenBabel-Devel@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/openbabel-devel >> >> > > ------------------------------------------------------------------------------ > The Palm PDK Hot Apps Program offers developers who use the > Plug-In Development Kit to bring their C/C++ apps to Palm for a share > of $1 Million in cash or HP Products. Visit us here for more details: > http://p.sf.net/sfu/dev2dev-palm > _______________________________________________ > OpenBabel-Devel mailing list > OpenBabel-Devel@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/openbabel-devel > ------------------------------------------------------------------------------ The Palm PDK Hot Apps Program offers developers who use the Plug-In Development Kit to bring their C/C++ apps to Palm for a share of $1 Million in cash or HP Products. Visit us here for more details: http://p.sf.net/sfu/dev2dev-palm _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
