Hi Roberto, The changes to ensemble refinement (DEN, etc) should be available from any version of Phenix since ~Oct 2021 (https://github.com/cctbx/cctbx_project/commit/43bd136e4edce123ecc62197024f2e...) N.B. this doesn't include the calculation of the Echt TLS B-factor model. If you want to use those you can get Echt separately here: https://pandda.bitbucket.io/pandemic/echt.html Please then set the "import_tls_pdb" parameter to the path of PDB output from Echt. All the best, Tom ________________________________ From: Roberto Battistutta Sent: 07 April 2025 16:18 To: [email protected] Subject: [phenixbb] DEN restraints and ECHT disorder models Dear all, From which version of Phenix are the DEN restraints and ECHT disorder models implemented in the ensemble refinement (as described in Ploscariu, N., Burnley, T., Gros, P. & Pearce, N. M. (2021). Improving sampling of crystallographic disorder in ensemble refinement. Acta Cryst. D77, 1357-1364)? Thank you very much, Roberto. Roberto Battistutta Associate Professor Department of Chemical Sciences University of Padua via Marzolo 1, 35131 Padova - ITALY tel. +39.049.827.5262 fax. +39.049.827.5829 [email protected]mailto:[email protected]

Hi Roberto, The changes to ensemble refinement (DEN, etc) should be available from any version of Phenix since ~Oct 2021 (https://github.com/cctbx/cctbx_project/commit/43bd136e4edce123ecc62197024f2e...) N.B. this doesn't include the calculation of the Echt TLS B-factor model. If you want to use those you can get Echt separately here: https://www.mmoexp.com/Wow-forever/Gold.html