On 17/10/2012 14:46, David van der Spoel wrote: > On 2012-10-17 15:15, David van der Spoel wrote: >> Hi, >> >> I've done some G2 calculations on small molecules using Gaussian, and >> each of these files contains 7 calculations. Babel crashes when trying >> to read this: >> >> % curl http://folding.bmc.uu.se/222-trichloroethanol-g2.log > >> 222-trichloroethanol-g2.log >> >> % babel -ig09 222-trichloroethanol-g2.log -osdf koko.sdf >> Segmentation fault
> The problem is due to a call to strchr at line 326 of gaussformat.cpp > the result of which is not checked but assumed to be correct. > > comment += strchr(buffer,'=')+2; I have committed what I hope will be a more robust version to trunk. It is not thrown by the error messages at the beginning of the file and seems to extract (at least) a single value of the geometry, energy, and the rotational and vibrational constants. Chris ------------------------------------------------------------------------------ Everyone hates slow websites. So do we. Make your web apps faster with AppDynamics Download AppDynamics Lite for free today: http://p.sf.net/sfu/appdyn_sfd2d_oct _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
