[ccp4bb] Phosphorylated arginine in COOT

2019-07-26 Thread Anirudha Dutta
3 A. Can anybody helps me with step by step procedure to incorporate a phospho-arginine in my structure using COOT and if anything special need to be done during refinement in Phenix. Thanks and regards Sincerely Anirudha Dutta

[ccp4bb] occupancy of Metal

2014-03-22 Thread Anirudha Dutta
Dear all In the structure I am working has three Mg2+ ions having B-factors of 36.6, 8.6 and 20.3 Å2 with occupancy of one. The mean B-factor and resolution are 22.65 Å2 and 2.5 Å respectively. I want to adjust the occupancy of the Mg (with 36.6 Å2) manually. Please suggest what could be the final