On 2 December 2017 at 00:31, Ivan Shabalin <iva...@iwonka.med.virginia.edu> wrote:
> Instead, we just used the search of the > unit cell parameters in the PDB, which is much faster (but works only if the > structure of this particular artifact in the same SpGr is in PDB! otherwise, > one should use ContaMiner or similar service). This feature is implemented > in HKL3000, but it can also be done quickly on the PDB webpage. Even better, one can use SAUC which finds also matches in different space groups by comparing dimensions of the Niggli (reduced) cell. http://iterate.sourceforge.net/sauc/
