On 6 August 2012 19:14, Tim Vandermeersch tim.vandermeer...@gmail.com wrote:
Hi,
On Mon, Aug 6, 2012 at 12:24 PM, Noel O'Boyle baoille...@gmail.com wrote:
Even more unforunately, it's not possible to access most of the stereo
functionality from anything but C++. This is due to the use of
On 07/08/2012 23:02, Rob Smith wrote:
Does anyone know of a comprehensive list of the OBConversion
OUTOPTIONS characters? I am trying to extend a ruby wrapper we are
developing for openbabel, and I'm having trouble locating the correct
characters to complete the translation of the command line
characters to complete the translation of the command line argument
for what I am trying to do:
obabel benzodiazepine.sdf.gz -O out.svg --filter title=3016 -s
c1ccc2c(c1)C(=NCCN2)c3c3 red -xu -d
Keep in mind that if you're doing it programmatically, you don't use the 'x'
part of the
I fixed the Eigen2 problem with a cast. Hopefully it still works for Eigen3.
I'm getting quite a few trivial compile warnings though, Geoff, with
MSVC - maybe you can look into these:
1..\..\..\src\distgeom.cpp(126) : warning C4244: 'initializing' :
conversion from 'double' to 'float', possible
