Dear Niegel, May be Shijun had to cancel his registration to the PhenixBB as I had to do since 2015 due to "too many bounces" whatever the email address I used, professional, yahoo or gmail ?... Has this been fixed at some point ?
All the best,Philippe Philippe BENAS, Ph.D. Laboratoire de Cristallographie et RMN Biologiques, UMR 8015 CNRS Faculté de Pharmacie, Université Paris Descartes Case 48 Av, de l'Observatoire F-75270 PARIS cedex 06 +33.1.5373.1599 E-mails: philippe.be...@parisdescartes.fr, philippe_be...@yahoo.fr URLs: http://lcrbw.pharmacie.univ-paris5.fr/ , http://lcrbw.pharmacie.univ-paris5.fr/spip.php?article18 De : Nigel Moriarty <nwmoria...@lbl.gov> À : CCP4BB@JISCMAIL.AC.UK Envoyé le : Vendredi 2 mars 2018 8h25 Objet : Re: [ccp4bb] phenix refinement about cis-proline Shijun You can ask all the questions you like about Phenix on PhenixBB. However, to answer your question, you can set all peptides to trans using apply_all_trans=True or more specific control using apply_cis_trans_specification { cis_trans_mod = cis *trans residue_selection = None } to any number of peptides. Cheers Nigel ---Nigel W. Moriarty Building 33R0349, Molecular Biophysics and Integrated BioimagingLawrence Berkeley National Laboratory Berkeley, CA 94720-8235 Phone : 510-486-5709 Email : nwmoria...@lbl.gov Fax : 510-486-5909 Web : CCI.LBL.gov On Thu, Mar 1, 2018 at 10:58 PM, 张士军 <21620150150...@stu.xmu.edu.cn> wrote: Dear all I am refining a structure which has cis-Pro and trans-Pro, the tans-Pro is gone when I set the "threshold degrees for cis-peptide " from default 45 to 65, but still has cis-Pro. While no significant change when I set it to 15. My question is how to set in phenix refinement to clear the Pro residues in cis- or trans- conformations.Best Regards shijun
