================= CCP-EM CHANGE LOG ================= ================= Changes for 1.2.0 ================= *) RELION - a pre-compiled copy of RELION v2.1 is now included in the suite This includes OpenMPI for running on a single computer. To run efficiently on clusters, you should still use a copy of RELION that is compiled specifically for each system. In that case, be careful when you set up your PATH to ensure the desired version of RELION is found first. On Linux, RELION is compiled with CUDA support, so GPU acceleration should work correctly. *) LocScale - now works in MPI mode on both Mac OS X and Linux *) Refmac - add option for automatic detection of symmetry in atomic models, and use of symmetry restraints. *) Buccaneer - use EM reference structure *) MRC to MTZ - fix bug with empty lists in sharpen and blur fields *) TEMPy scores - task included to rank fitted models based on multiple scores. *) TEMPy Local score - now evaluates atomic model fit on either small residue fragments or relatively large rigid-bodies, based on map resolution. *) Installation script - check CCP4 version is up to date *) Various other bug fixes ================= Changes for 1.1.0 ================= *) LocScale now available in CCPEM GUI without external dependencies Calculate reference map from input structure using Refmac Use MapMask to enforce x,y,z axis order as input to LocScale Use np_locscale branch Take out of alpha mode Add mpi4py support *) Update DockEM Improve GUI Multiprocessing option Show search region in Chimera *) Flex-EM option to auto generate rigid body input Calls ribfind task to generate rigid body if not supplied JSmol window removed *) Ribfind GUI simplified JSmol window removed Fixed cutoffs used for generation of rigid body outputs *) Update toolbar Remove 'Load' button Rename 'New' to 'Clone' Update icon set, make Run button more obvious Resize icons for correct display on Mac retina screens *) Fix main GUI crash bug when in alpha mode and modeller not available *) Tag CCP-EM version details to all CCP-EM process logs ============= Version 1.0.0 ============= This change log starts from the first stable release of CCP-EM, version 1.0.0. An overview of the main functionality of the suite can be found here: https://doi.org/10.1107/S2059798317007859