do you mean earlier whne coot was connected to phenix during the refinement? If you load the pdb and the mtz directly into coot, you have to load the cif file beofre starting the real space refinement in coot.
Dr. Matthias Barone AG Kuehne, Rational Drug Design Leibniz-Forschungsinstitut für Molekulare Pharmakologie (FMP) Robert-Rössle-Strasse 10 13125 Berlin Germany Phone: +49 (0)30 94793-284 ________________________________ From: CCP4 bulletin board <[email protected]> on behalf of Muhammad Bashir Khan <[email protected]> Sent: Friday, May 1, 2020 2:25:56 AM To: [email protected] Subject: Re: [ccp4bb] Ligand Refinement in coot ReadySet On Thu, Apr 30, 2020 at 6:23 PM Sharan Karade <[email protected]<mailto:[email protected]>> wrote: Hi, I think, you can generate new restrain file for your ligand and load before you do refine in COOT for next time. I have query that, how did you generate restrain file for ligand (elbow or readyset in phenix)?. On Thu, Apr 30, 2020 at 5:06 PM Muhammad Bashir Khan <[email protected]<mailto:[email protected]>> wrote: Hi Folks; I want to ask about the ligand refinement in coot. Earlier I was able to refine the ligand in the coot using real space refine zone but now by some reason when I want to refine the ligand in coot it asks me "Refinement setup failure failed to find restrained for XYZ". Do not know what happen to the restrained file All your suggestion will be highly appreciated Bashir -- ------------------------------------------------------ Muhammad Bashir Khan, Ph.D. Research Associate Department of Biochemistry Medical Science Bldg. Lab 3-27 University of Alberta Edmonton AB, T6G 2H7 Phone: 780-492-4577- e-mail: [email protected]<mailto:[email protected]> ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 -- Sharan Karade Postdoc-fellow IBBR-UMD, 9600 Gudelsky Dr, Rockville Maryland 20850 -- ------------------------------------------------------ Muhammad Bashir Khan, Ph.D. Research Associate Department of Biochemistry Medical Science Bldg. Lab 3-27 University of Alberta Edmonton AB, T6G 2H7 Phone: 780-492-4577- e-mail: [email protected]<mailto:[email protected]> ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
