On Wed, 2 Mar 2022 22:56:28 +0800, fu <fuxingke0...@163.com> wrote: >Dear Colleagues, > I get two solutions after running SHELX C/D. In both results, the > coordinates of the heavy atoms are centrosymmetric. Why there are two > solutions? > >Best wishes, >Fu Xingke >Institute of Physics CAS
Hello Fu, SHELXD writes a single .res and a single .pdb file. So how do you get two solutions? Just a hint about asking questions on CCP4BB: you should include more precise information. Then you get better answers. - which operating system, which program, which version of program, which version of CCP4 (may not be very relevant for this specific problem, but generally it is helpful to know) - what is the resolution of the data? Which data reduction program? - what is the input to SHELXD? Show the .ins file ! - what is the output of SHELXD? Show the .res file ! best, Kay ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
