SZMAP 1.1.1

January 2013

Bug fix to SZMAP applications, utilities and VIDA extensions.

Improvements

  • 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.

Bug Fixes

  • 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 analyzed 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.