Re: [Open Babel] gamess input and output not compatible with obabel supported formats?

2019-08-28 Thread Geoffrey Hutchison
> [bennion1@czvnc2 ATBJOBS]$ /usr/gapps/bbs/TOSS-3/bin/obabel -igamess > 317358/1/qm.inp -osdf -O test > 0 molecules converted This just looks like that kind of GAMESS input is not supported by the reader. It's hard to devise a general input reader. As far as the output, nothing should

[Open Babel] gamess input and output not compatible with obabel supported formats?

2019-08-27 Thread Bennion, Brian via OpenBabel-discuss
Hello, Recently I have tried to convert gamess input and gamess output with obabel has just resulted in core dumps. Is there a way to turn on debugging to tell me where the issue might be? Whether reading or writing or both? [bennion1@czvnc2 ATBJOBS]$ /usr/gapps/bbs/TOSS-3/bin/obabel -igamess