Hi Mark, The first two digits of the code correspond to the zero-based index of the symmetry operators list found here: https://github.com/schrodinger/pymol-open-source/blob/master/modules/pymol/xray.py#L95 The following three digit pairs correspond to the X, Y, Z unit cell offsets along that axis.
Jarrett J. On Wed, May 1, 2019 at 1:07 PM Mark Saper <sa...@umich.edu> wrote: > PyMOL uses some preprogrammed space group operators to generate > symmetry-related molecules. These molecules are numbered > _0100000, _0200000, _0300000. I need to know which operators these > correspond to for space group 18, P21212. > > Does anyone know where this can be found? There are different orders of > the operators depending on what book one consults. > > Thanks, > Mark > _______________________________________________ > Mark A. Saper, Ph.D. > Associate Professor of Biological Chemistry, U-M Medical School > Room 3220B, MSRB III sa...@umich.edu +1 (734) 764-3353 mobile: (734) > 276-6505 > > _______________________________________________ > PyMOL-users mailing list > Archives: http://www.mail-archive.com/pymol-users@lists.sourceforge.net > Unsubscribe: > https://sourceforge.net/projects/pymol/lists/pymol-users/unsubscribe -- Jarrett Johnson PyMOL Developer Schrödinger, Inc.
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