On 2012-10-07 22:53, Reinis Danne wrote:
On Sun, Oct 07, 2012 at 10:06:57PM +0200, David van der Spoel wrote:
On 2012-10-07 21:28, Reinis Danne wrote:
On Sun, Oct 07, 2012 at 08:32:53PM +0200, David van der Spoel wrote:
On 2012-10-07 18:35, Reinis Danne wrote:
On Sun, Oct 07, 2012 at
On 2012-10-08 10:55, David van der Spoel wrote:
Hi,
To answer my own question: I now installed trunk, the development
version. The gaussian files now work fine, but the fulvene.pdb file
still gives problems:
% babel --version
No output file or format spec!
Open Babel 2.3.2 -- Oct 8 2012 --
On 2012-10-08 14:45, David van der Spoel wrote:
On 2012-10-08 10:55, David van der Spoel wrote:
Hi,
To answer my own question: I now installed trunk, the development
version. The gaussian files now work fine, but the fulvene.pdb file
still gives problems:
% babel --version
No output file
On 2012-10-08 19:11, Reinis Danne wrote:
On Mon, Oct 08, 2012 at 03:00:30PM +0200, David van der Spoel wrote:
On 2012-10-08 14:45, David van der Spoel wrote:
On 2012-10-08 10:55, David van der Spoel wrote:
Hi,
To answer my own question: I now installed trunk, the development
version. The
On Mon, Oct 08, 2012 at 07:40:51PM +0200, David van der Spoel wrote:
On 2012-10-08 19:11, Reinis Danne wrote:
On Mon, Oct 08, 2012 at 03:00:30PM +0200, David van der Spoel wrote:
It adds TWO H for InChi output, not for SDF output, but it only produces
two double bonds (out of three). I
