Re: [PyMOL] monitor same protein conformational change with multiple trajectory files

2019-05-01 Thread David Gae
Dear Yu, Try this bash script and then run "pymol all.pdb” in your PDB directory. this might help you view your files as a trajectory. for i in {1..3000} do # change frame_$i.pdb to your file name. for example mine is frame_1.pdb [ -f "frame_$i.pdb" ] z=frame_$i.pdb se

[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

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