PyRx – Python Prescription

Virtual Screening Tool

PyRx 0.9.7 Release Announcement

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by

sargis
in

We are pleased to announce the release of PyRx 0.9.7. We have upgraded Python interpreter on Windows to 64 bit version that allows users to work with larger molecules. Other major changes in this release include:

For Inverse Virtual Screening with Vina, we now have preferences page where users can specify maximum number of Macromolecules to load.

097_inverse_preferences.png

Added Lipinski Rule of Fives in Open Babel table filter.

097_lipinski.png

Open Bable table now includes logP, number of hydrogen bond donors (#HBD) and acceptors (#HBA) columns.

097_openbable_table.png

Implemented Max Runtime in PyRx > Edit > Preferences. Users can change this to terminate all local jobs that take more than Max Runtime (in minutes) to run.

097_max_runtime.png

PyRx 0.9.6 users can update to this release using PyRx > Help > Check for Updates… menu. The list of changes for 0.9.6 version is available at PyRx 0.9.6 Release Announcement.