Re: [OpenBabel-Devel] Bug in obabel on Mac when input and output formats match

2013-04-08 Thread David van der Spoel
On 2013-04-09 03:28, Marcus D. Hanwell wrote: > Hi, > > We are using obabel to perform geometry optimizations etc on the > command line, and we are hitting a bug that seems to only present > itself on the Mac. If the input and output formats are the same then > the operation fails, for example, > >

[OpenBabel-Devel] Bug in obabel on Mac when input and output formats match

2013-04-08 Thread Marcus D. Hanwell
Hi, We are using obabel to perform geometry optimizations etc on the command line, and we are hitting a bug that seems to only present itself on the Mac. If the input and output formats are the same then the operation fails, for example, obabel -icml -ocml --minimize --log --ff UFF That is using