Re: [ccp4bb] [RESOLVED]partially restrained mode?

[Boaz Shaanan]

Hi Bernhard, Always trust Google. A most powerful tool to unearth Garib's hidden hints 😉.  Cheers,           Boaz      Boaz Shaanan, Ph.D.                                         Dept. of Life Sciences                                      Ben-Gurion University of the Negev                          Beer-Sheva 84105                                            Israel                                                                                                                  E-mail: bshaa...@bgu.ac.il Phone: 972-8-647-2220                     Fax:   972-8-647-2992 or 972-8-646-1710                          From: Bernhard Rupp <hofkristall...@gmail.com> Sent: Sunday, October 18, 2020 8:40 PM To: CCP4BB@JISCMAIL.AC.UK Cc: בעז שאנן Subject: [RESOLVED]partially restrained mode?   Resolved: Boaz kindly pointed me to the Refmac instructions on Garib’s site https://www2.mrc-lmb.cam.ac.uk/groups/murshudov/content/refmac/refmac_keywords.html#id.r2gu4ckb7nka which show the proper command line (an example below): restraint exclude residue 403 A * Works.   Many thx, BR   Btw: None of the links from ccp4i ‘classic’ that I found actually point to this full document… ---------------- Hi Fellows,   is there a way (keyword based) to refine in Refmac – given near atomic resolution – a part of the model (protein chain) restrained, and another part (to check for ligand explosivity, for example) unrestrained?   Best, BR ------------------------------------------------------ Bernhard Rupp http://www.hofkristallamt.org/ b...@hofkristallamt.org +1 925 209 7429 +43 676 571 0536 ------------------------------------------------------ Many plausible ideas vanish at the presence of thought ------------------------------------------------------   To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1