Ah,
a singular case of programming laziness.
The program parses coordinates, stopping
when
tokenize(vs, buffer).size() != 3
however this is wrong, as in the example
6.29515362457206E+00 -2.43255788376700E+00 1.01738544341254E+01
5.58007856838859E+00 -3.26245586477436E-02 1.24332273200431E+01
On Tue, Apr 9, 2013 at 7:06 AM, Noel O'Boyle wrote:
> On 9 April 2013 00:20, David van der Spoel wrote:
>> On 2013-04-09 03:28, Marcus D. Hanwell wrote:
>>> Hi,
>>>
>>> We are using obabel to perform geometry optimizations etc on the
>>> command line, and we are hitting a bug that seems to only p
