Do you mean only refine waters? In a general refinement run the waters will be refined along with protin/ligands etc.. Eleanor
On Mon, 26 Jun 2023 at 20:54, De La Torre Marquez, Pedro Luis < pedro_delatorremarq...@meei.harvard.edu> wrote: > Dear all, > > I hope everything is going well. > Back in 2019, I was using a script to refine all water molecules > automatically during the refinement of an X-ray crystal structure. I no > longer remember such script. Any suggestion? > > I will really appreciate it. > > Pedro. > > The information in this e-mail is intended only for the person to whom it > is addressed. If you believe this e-mail was sent to you in error and the > e-mail contains patient information, please contact the Mass General > Brigham Compliance HelpLine at > https://www.massgeneralbrigham.org/complianceline . > > Please note that this e-mail is not secure (encrypted). If you do not > wish to continue communication over unencrypted e-mail, please notify the > sender of this message immediately. Continuing to send or respond to > e-mail after receiving this message means you understand and accept this > risk and wish to continue to communicate over unencrypted e-mail. > > ------------------------------ > > 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/
