It seems not possible to create a simple application were this issue happens. As a context I'm reading in molecules, generating 3D coordinates and then generate the Spectrophore. In a simple script-like snippet this works.
In the complete application the results are written to an output file, there are cli-options but fundamentally it does not do anything different and the code for conformer searching is the same. But here it always fails with a java error. And commenting conformerSearch.SetScore(score); reproducibly fixes the issue. I will investigate further to try to find a simple example to demonstrate this. -- View this message in context: http://forums.openbabel.org/Java-API-setting-OBConformerScore-will-crash-application-tp4656958p4656960.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Rapidly troubleshoot problems before they affect your business. Most IT organizations don't have a clear picture of how application performance affects their revenue. With AppDynamics, you get 100% visibility into your Java,.NET, & PHP application. Start your 15-day FREE TRIAL of AppDynamics Pro! http://pubads.g.doubleclick.net/gampad/clk?id=84349351&iu=/4140/ostg.clktrk _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
