[ccp4bb] Refinement of heavy atoms using SOLVE or SHARP or others

2023-10-11 Thread fuxingke
Dear Colleagues, Reacently, for SAD experiment, I find SOLVE and SHARP can refine the variables of heavy atoms, such as occupancies, coordinates and thermal parameters. But how to use SOLVE and SHARP to refine heavy atom in command line in linux? I don't find a script to do it. Who has

[ccp4bb] the structures of Nucleic acid

2023-09-18 Thread fuxingke
Dear Colleagues, Reacently, I find the structures of Nucleic acid are solved by single-wavelength anomalous diffraction(SAD). So, why molecular replacement (MR) not? Regards Best wishes, Fu Xingke Institute of Physics CAS ##

[ccp4bb] Downloading trouble of SITCOM software

2023-03-01 Thread fuxingke
Dear Colleagues, I found SITCOM is useful, but I find the websites can't be opened. The old from paper is http://schneider.group.ifom-ieo-campus.it/sitcom. So I can't download the package to install for using. So, I wuould be really appreciate it if you can provide the SITCOM installa

[ccp4bb] Patterson map

2022-06-21 Thread fuxingke
In ccp4, I can use "Generate Patterson Map" to generate Patterson map in "Map & Mask Utilities". But, I found a serious problem. When I use a set of data with spacegroup P21 and the position of atom is kown, the length of w-axis in the Patterson map is not equal to cell parameters c. What's