CrystalMaker 8.7.1 has been released.
CrystalMaker is a program for building, displaying, manipulating and animating all kinds of crystal & molecular structures now with support for colour 3D graphics and multi structure animation.
From the release Notes:-
- Indexed Online Help. The online help system is now indexed. Users can search for terms in the Help menu's search box, and a list of appropriate topics is displayed in the menu.
- Miscellaneous Changes. This version includes miscellaneous bug fixes and a workaround for system changes on OS X "Lion" and "Mountain Lion": Fixed a spurious "Failed to read XYZ file" warning that was displayed when a generic text file was read into the program. (The correct structure was invariably plotted, but the alert was incorrect). The Edit Annotation palette's "Scalebar" formatting buttons are now displayed correctly (this fixes an error introduced in the previous version). The Video Recorder palette now correctly resets the movie size to zero, before recording another video. Added a workaround for changed toolbar behaviour in OS X "Lion" and "Mountain Lion". Toolbar visibility is again correctly saved in the Preferences file. Fixed a potential problem with the File > Open Recent submenu, which could cause the command to fail.
Motofit co-refines Neutron and X-ray reflectometry data, using the Abeles matrix / Parratt recursion and least squares fitting (Genetic algorithm or Levenberg Marquardt). It works in the IGOR Pro environment (TM Wavemetrics).
OpenEye have announced that AFITT v2.2.0 has been released. This is the first release of the AFITT GUI that fully supports fragment and cocktail fitting to crystallographic data. In addition, poses fit to density can be re-ranked based on various docking scores (PLP, Chemscore) as well as the Real Space Correlation Coefficient (RSCC). This is particularly useful when analyzing highly symmetric ligands that can be fit to density equally well with multiple poses.
AFITT is an application designed to help crystallographers fit ligands to observed data. Ligands are placed in density and optimized in real-space limiting molecular strain thereby producing excellent matches to density while preserving known chemistry