Re: [Open Babel] Converting files with open babel

O , 2012-05-01 17:18 +0100, Scott McKechnie rakstīja: > To whom it may concern, > > I am having problems when trying to convert files. I am trying to convert a > .sdf file to a gaussian input file .com: > > babel opt.sdf opt.com > babel: cannot write output format! > Open Babel 2.3.1 -- May 1 20

Re: [Open Babel] Converting files with open babel

"obabel -L formats" gives "gau" for "Gaussian 98/03 Input [Write-only]" So..."obabel opt.sdf -o gau -O opt.com" - Noel On 1 May 2012 17:18, Scott McKechnie wrote: > To whom it may concern, > > I am having problems when trying to convert files. I am trying to convert > a .sdf file to a gaussian

[Open Babel] Converting files with open babel

To whom it may concern, I am having problems when trying to convert files. I am trying to convert a .sdf file to a gaussian input file .com: babel opt.sdf opt.com babel: cannot write output format! Open Babel 2.3.1 -- May 1 2012 -- 16:34:16 Usage: babel [-i] [-o] Try -H option for more inform