[Open Babel] Parameters of charge equilibration

Hi, I have noticed that the charge equilibration parameters for Cu in openbabel are different from MStudio and GULP.Who derived QEq parameters in OpenBabel? Where these parameters published somewhere?   Thanks, ekadants -

Re: [Open Babel] Segmentation fault in inchi conversion

Hi Fredrik, Did you find a solution to this problem? I found a similar example: I pasted example code for pybel, but running the command below with both inchis in the file inchi.txt: babel -iinchi inchi.txt -osdf inchi.sdf Will result in "Segmentation fault: 11" Remove the second inchi and the com