Dear Herman Thank you - perfect! Never had to click that before!
Susan Prof Susan M. Lea Professor of Microbiology Wellcome Trust Investigator Sir William Dunn School of Pathology, Oxford, OX1 3RE T: +44 1865 275181 Professorial Fellow @ Wadham College, Oxford On 27 Aug 2020, at 13:34, Schreuder, Herman /DE <[email protected]<mailto:[email protected]>> wrote: Dear Lea, when doing real space refinement in coot, on has to change the refinement weight, otherwise that map gets way to much weight and the coordinates get squeezed into to the density with the result you show. The way to do this is to click on the R/RC button (in my case in the upper right corner of the coot window) and then click on the estimate button behind the refinement weight. Best regards, Herman Von: CCP4 bulletin board <[email protected]<mailto:[email protected]>> Im Auftrag von Susan Lea Gesendet: Donnerstag, 27. August 2020 13:42 An: [email protected]<mailto:[email protected]> Betreff: [EXTERNAL] [ccp4bb] Error in coot post-refine in Phenix EXTERNAL : Real sender is [email protected]<mailto:[email protected]> Has anyone else run into this problem? Using Phenix (nightly download of a few days ago) for real space refinement of coordinates against a cryoEM map all looks good until I try and fit a small region in coot 0.9EL when, post-fit, end up with bonds being drawn between all clost atoms and chemistry is screwed up (see picture below). Atoms names etc look OK on first glance. Not sure if this is a Coot or Phenix problem! Same issue with both .pdb and .cif versions of the coordinates. Susan <image001.png> Prof Susan M. Lea Professor of Microbiology Wellcome Trust Investigator Sir William Dunn School of Pathology, Oxford, OX1 3RE T: +44 1865 275181 Professorial Fellow @ Wadham College, Oxford ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1<https://urldefense.proofpoint.com/v2/url?u=https-3A__www.jiscmail.ac.uk_cgi-2Dbin_WA-2DJISC.exe-3FSUBED1-3DCCP4BB-26A-3D1&d=DwMFAg&c=Dbf9zoswcQ-CRvvI7VX5j3HvibIuT3ZiarcKl5qtMPo&r=HK-CY_tL8CLLA93vdywyu3qI70R4H8oHzZyRHMQu1AQ&m=WJ3GxbLWlxKQJ3KdxlD6yUDN5zKSPZytBzC7kzMAiTI&s=4LkH1yn8-BlJRTO8tz6aWdivRCTyYn-Z2Rc1Lyd6Wp0&e=> ######################################################################## 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/
