VIDA 2.1.2

New Features

  • Added “Copy Image” function under the Edit menu which takes a screenshot of the current main window and places it on the clipboard

  • Added “Map Index” atom label corresponding to the value returned by the OEChem function OEAtomBase::GetMapIdx().

Improvements

  • Updated menu system to be compliant with standard UI design practices (such as ‘…’ usage when menu option launches a dialog)

  • Updated menu system on Mac OS X to follow common Mac paradigms (e.g. “Open Recents” and “Preferences…” options)

  • Reorganized File menu for more logical placement of options

  • Collapsed “New > List >” submenu structure to a single “New List >” submenu which appears after the Open, Save block

  • Added “New Molecules >” submenu which contains a “From Split” submenu which provides the “Split Molecules” functionality from the old Edit menu.

  • Renamed “Clear All” option to “Clear” and moved up in the menu above Save block

  • Removed “Abort Script” option as it was redundant (Stop button next to progress bar performs this function) and also could generally not be accessed while a script was running

  • Reorganized Edit menu for more logical placement of options as well as to provide some commonly performed operations in a single place

  • Moved “Split Molecules” functionality to File menu

  • Added new “Select” submenu which contains the following options: All Visible, Query, Invert, and None

  • Added new “Mark” submenu which contains the following options: All, Query, None

  • Added new “Hide” submenu which contains the following options: All, Selected, Marked, Not-Selected, Not-Marked, and None

  • Removed the following options as they were redundant given the above additions: Hide All, Clear Marked

  • Alphabetized list of available windows in the Window menu

  • Batch shell window no longer appears when running on Windows

  • Redesigned process manager window for easier use

  • Significantly improved the quality of POV-ray exports and reduced the output file size

  • Improved the rendering of electrostatic grids

Major Bug Fixes

  • Upgraded to OEChem 1.4.1 which fixed a number of bugs associated with handling bad input files

  • Fixed a cross-platform compatibility issue in state files

Minor Bug Fixes

  • Fixed “MolecularEnergy()” calculation method in spreadsheet to correctly report energies on multi-conformer molecules

  • Fixed “SpreadsheetFilter()” command such that it operates on the specified spreadsheet instead of the current spreadsheet

  • Ensured that all current environment variables are properly passed to processes started from the process manager

  • Fixed the icon on the hydrogen display button to accurately reflect what will occur when the button is pressed

  • Fixed a Mac OS X bug where double-clicking on a molecule file started VIDA but did not actually load the file that was clicked on