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PyRx 0.9.5 Release Announcement PDF Print
Written by Sarkis Dallakian   

 We are pleased to announce the release of PyRx 0.9.5. Major changes in this release include:

  • Fixed a bug when toggling hydrogen bonds using toolbar icon.
  • PyRx can now run docking for molecules that have quotes in their names, like in 3-hydroxy-5_7_3'_4'_5'-pentamethoxyflavone.
  • Added balloon widget to draw labels when the mouse stays above a molecule. This can be helpful when there are multiple molecules in 3D scene. The mouse cursors changes to busy when you move the mouse over a molecule. You can disable this by deleting a single line - https://sourceforge.net/p/pyrx/code/278/tree/PyRxDev/PyRx/mayaviEngine.py#l110 . Let me know if you don't like this feature; I can add an option to disable this in the next release of PyRx, if needed.

pyrx-balloon

  • Added RMSD from reference structure column to AutoDock Analyze Results table.

pyrx-rmsd

  • When making flexible residues, PyRx is now using options defined in receptor preparation preferences to decide what type of changes to do.

pyrx-preferences

PyRx 0.9.2, 0.9.3 and 0.9.4 users can update to this release using PyRx > Help > Check for Updates... menu. The list of changes for 0.9.4 version is available at PyRx 0.9.4 Release Announcement.


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Last Updated on Sunday, 22 January 2017 17:18
 
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