Hi,
I'm not sure why pdb was the output format I was certainly not expecting it.
On 19 Nov 2010, at 13:55, Pascal Muller wrote:
> Hi,
>
>> MASTER00000000 160 160
>> END
>> ENDMDL
>> MODEL3
>> COMPNDUNNAMED
>> AUTHORGENERATED BY OPEN
Hi,
> MASTER 0 0 0 0 0 0 0 0 16 0 16 0
> END
> ENDMDL
> MODEL 3
> COMPND UNNAMED
> AUTHOR GENERATED BY OPEN BABEL 2.3.0
I don't know if it will help, but the tag "END" should be the very
last line of the PDB file. There is only one occurence of "
Hi,
I'm in the process of rewriting iBabel and I've taken the opportunity to
properly integrate all the OpenBabel tools in testing I've come across a few
things I need to ask about.
Using obminimize it seems the default output is pdb.
However when I use obminimize for a sdf file containing mul
