Hello, Have you tried ISOLDE? Interactive MDFF is really powerful both for fixing models with poor geometry and for improving fit to the map.
There is a good tutorial for refinement of a model against a cryoEM map with ISOLDE: https://isolde.cimr.cam.ac.uk/static/isolde/doc/tutorials/intro/cryo_intro/cryo_intro.html I hope this helps, Guillaume > On 29 Jul 2020, at 17:29, Schreuder, Herman /DE <herman.schreu...@sanofi.com> > wrote: > > > Coot does it, but if one wants to do it for a complete protein, it is a lot > of clicking. On the other hand, I have not tried to just select the N- and > C-terminus for real-space refinement to see what happens. I would prefer to > have some script to do it. > Best, Herman > > Von: Eleanor Dodson <eleanor.dod...@york.ac.uk> > Gesendet: Mittwoch, 29. Juli 2020 17:23 > An: Schreuder, Herman /DE <herman.schreu...@sanofi.com> > Cc: CCP4BB@JISCMAIL.AC.UK > Betreff: [EXTERNAL] Re: [ccp4bb] real real-space-refinement > > EXTERNAL : Real sender is eleanor.dod...@york.ac.uk > > > > Wont coot do that? > Eleanor > > On Wed, 29 Jul 2020 at 16:20, Schreuder, Herman /DE > <herman.schreu...@sanofi.com> wrote: > Dear BB, > > I would like to do a real real-space-refinement of a protein against a > cryo-EM map; not the mtz-based Refmac approach. A quick internet search > produced a lot of Phenix hits, but little ccp4 hits. Does somebody know how > to do this using ccp4 programs, or has someone a Coot script to do this? > > Thank you for your help! > Herman > > 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 ######################################################################## 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/
