Re: [OpenBabel-Devel] failed tests in trunk

2012-11-29 Thread Noel O'Boyle
The MMFF94 test fail is me. The change to SSSR order causes a fail - I've yet to look into it. On 29 November 2012 19:04, Tim Vandermeersch wrote: > Hi, > > I recently added the smiley test, this is still experimental and I have to > check it on more platforms etc. So don't worry about this one.

Re: [OpenBabel-Devel] failed tests in trunk

2012-11-29 Thread Tim Vandermeersch
Hi, I recently added the smiley test, this is still experimental and I have to check it on more platforms etc. So don't worry about this one. I have no idea why the MMFF94 test fails though. I assume you were not wroking on the force field code? Tim On Thu, Nov 29, 2012 at 7:49 PM, David van de

[OpenBabel-Devel] failed tests in trunk

2012-11-29 Thread David van der Spoel
Hi, I ran the tests in the latest trunk and got The following tests FAILED: 14 - smiley_Test (Failed) 37 - ffmmff94_Test (Failed) any clue? -- David van der Spoel, Ph.D., Professor of Biology Dept. of Cell & Molec. Biol., Uppsala University. Box 596, 75124 Uppsala, Sweden. Ph

[OpenBabel-Devel] DNA image?

2012-11-29 Thread Craig James
Hi, And now for something completely different ... I'm looking for an image of a DNA strand that's quite long and that I can manipulate. Is there an editor program and a template that I could use to create such a thing? What I'm looking for is a DNA strand that on the macroscopic level is also s