Hi, SHARP and autoSHARP are manually run using the Sushi interface, which is not the easiest thing to set up. For straightforward heavy atom refinement, you can run both SHARP and autoSHARP on the command line. If you are familiar with SHARP’s input files and parameters, instructions can be found here: https://www.globalphasing.com/sharp/manual/appendix2.html However, if you need to do more difficult refinement and require more manual control over the SHARP parameters, the Sushi interface is vastly preferred.
If you are new to SHARP and just want to try it out on a dataset without manual intervention, the easiest way to do this is to use run_autoSHARP, a command line script that automates nearly all the setup. You supply a dataset, sequence, and a heavy atom list (optional, if you don’t have one, it will run SHELXD for you). Instructions here: https://www.globalphasing.com/sharp/wiki/index.cgi?RunAutoSharp You can also run autoSHARP via CCP4, if you link your installation to it. Best, Aaron From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> on behalf of fuxingke <fuxingke0...@163.com> Reply-To: fuxingke <fuxingke0...@163.com> Date: Wednesday, October 11, 2023 at 12:02 To: "CCP4BB@JISCMAIL.AC.UK" <CCP4BB@JISCMAIL.AC.UK> Subject: [ccp4bb] Refinement of heavy atoms using SOLVE or SHARP or others 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 the scripts template that implements the refinement of heavy atoms using SOLVE or SHARP or others? Could you please share them with me? Regards Best wishes, Fu Xingke Institute of Physics CAS ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 ######################################################################## 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/
