Bug fix to SZMAP applications, utilities and VIDA extensions.
- The Water Orientation VIDA extension now identifies ligand or protein
displacement entries by appending (lig_disp) or (prot_disp) to the name
in the selection pop-up.
- A rare bug in how szmap decides which grid points will be analyzed has
been fixed. This bug only affected apo pocket calculations where part
of the ligand used to define the pocket extends away from the protein
more than ~5 Å in the negative x, y, or z direction, causing some regions
that should have been analysed to be skipped, and other regions that should
have been skipped to be analyzed.
- The metadata added to szmap output now includes the correct version number.
- The position of points tested for stabilization by gameplan no longer
differ slightly between architectures.
- Running gameplan from a directory containing the word “gameplan” works properly now.
- The grid_comp utility now produces the appropriate subset of probe orientations
when the operations lig_disp or prot_disp are used.
- The Watercolor VIDA extension no longer changes the modification hypothesis
molecule to wireframe when the user has highlighted a hypothesis in the list window
before running the extension.