Olex2 1.1.5 released

The new version provides a number of features:

• tutorials - to help you to start with Olex2
• olex2-refine - new, fully featured, smtbx based refinement with new angle and dihedral angle restraints and rotated ADP constraint and support for HKLF 5
• electron density maps for twinned datasets
• PovRay output including export of polyhedra, planes and iso-surfaces
• disorder modelling tools (mode fit, mode fit -s, available from the GUI)
• asymmetric unit reconstruction mode (mode grow -a)
• better treatment of H atoms for water - the H atoms are constrained and allowed to ride on and rotate around the oxygen atom; coordinated water and R-NH2 are modelled as rotating tetrahedral groups
• improving inversion function to take into account the space group change like in the case of P31 to P32
• built in cell search engine - a portable version of LCELLS, fast and efficient way to check if somebody in the lab already collected the dataset
• extended customisation available including the possibility to permanently restrict the angle to filter hydrogen bonds (hbond_min_angle=120), to restrict Olex2 from removing invalid instructions when reading INS file (preserve_invalid_ins=False) and invert the mouse for zooming (InvertMouse=False) stored in .options file. Other options will be developed for the next release.
• GUI support for multiple dataset CIFs
• files can now be read using HTTP links
• extended atom selection wildcards - use $*,type1,type2 to select all atoms but of specific type
• CCDC deposition and CheckCif report is available with a click of the button
• Solvent Accessible Voids calculation is added