Re: [PyMOL] Space group Symmetry operators

2019-05-01 Thread Jarrett Johnson
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

[PyMOL] Space group Symmetry operators

2019-05-01 Thread Mark Saper
PyMOL uses some preprogrammed space group operators to generate symmetry-related molecules. These molecules are numbered _010, _020, _030. 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