Re: [ccp4bb] phenix refinement about cis-proline

2018-03-02 Thread Philippe BENAS
is5.fr/ , http://lcrbw.pharmacie.univ-paris5.fr/spip.php?article18 De : Nigel Moriarty 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,

Re: [ccp4bb] phenix refinement about cis-proline

2018-03-01 Thread Nigel Moriarty
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

[ccp4bb] phenix refinement about cis-proline

2018-03-01 Thread 张士军
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