Bonsoir Jean,
I've just committed a few changes for the cif import, in order to
correctly assign *missing* unit cell values when reading a CIF file,
depending on the spacegroup (the code I committed a few weeks ago always
defaulted to 90° for missing angle values, which would be wrong i
Hi all, could you make that code available to everybody. I myself would
like to try it out.
Thanks,
Gonzalo.
On 02-Sep-11 12:46 PM, Marianne wrote:
Hi,
I test it in some molecules and it works really nice :o)
(in Ubuntu platform, I will make some test for windows too)
Thanks Igor and Noel,
Hi,
I test it in some molecules and it works really nice :o)
(in Ubuntu platform, I will make some test for windows too)
Thanks Igor and Noel, and great job Igor!
I will make a test in a larger database soon, and make an automaping
approach (with reactions) soon too. If ever need some code, do no
