Re: [Open Babel] Forcefields in obenergy (still) missing

[Mathias W. <m....@un...>]

Thanks again, "--log " was what I'm missing...

2011/4/11 Chris Morley <c.m...@ga...>:
> On 11/04/2011 09:20, Noel O'Boyle wrote:
>> I have the same on Win7. It looks like obenergy has suffered bit rot.
>>
>> We have been trying to replace these executables with equivalent
>> options to obabel. See the section in the OB docs about adding a new
>> op (operation).
>
> There already is an op --energy which may do what you want, although I
> haven't used it myself.
> Try obabel -L energy for more info
> The forcefields seem to be working ok with it.
>
> Chris




-- 
    M. Weigt