Re: [phenixbb] geometry weight and rmsd bonds - angles

Hi Ed, the information about all geometry restraints (including NCS), per atom, is always output in .geo file. You can pin-point an individual atom and see in which restraints it is participating, what is ideal value and what is current value, etc. It is a huge file and may not be easy to explore, but with a little knowledge of a scripting language it is not a problem. The atom strings are formatted the way so you can copy-paste search them in your PDB file. Pavel. On 8/12/10 9:57 AM, Ed Pozharski wrote:

On a different but related note, is there some way to print out the list of bond length deviations from ideal values for all the restrained bonds in the structure?