Re: [ccp4bb] arginine sidechain planarity issues

2022-06-27 Thread James Holton
It's the library: https://doi.org/10.1107/S2059798320013534 And it is not something that is terribly easy to fix. Arginine just has internal clashes so that plane is only flat sometimes. This is a lot of what led to the "Conformation Dependent Library", which I don't think is set up under

[ccp4bb] arginine sidechain planarity issues

2022-06-27 Thread SUBSCRIBE CCP4BB rkrishnan
I am refining a structure at 2.2A resolution. I find that all my arginines show distortion after refinement with refmac5 even though they fit into the density really well. This is latest version of ccp4 8.00 running on windows 10. Is my library messed up in refmac5? Any other ideas?