POVME Tutorial

Required Software

The POVME (POcket Volume MEasurer) algorithm has been widely adopted as a simple-to-use tool for measuring and characterizing pocket volumes and shapes. In this lecture, we’ll explore the details of the POVME algorithm.

After the lecture, there will be a hands-on tutorial. The tutorial requires the following programs:

Installing the Software on Your Laptop

You’re welcome to install all this software on your laptop, but it can be challenging on some systems. We recommend downloading a prepared VirtualBox image of Ubuntu with everything pre-installed.

Here are detailed instructions describing how to get our version of Ubuntu up and running on your laptop:

Installation instructions for:
Day1 – Identifying flexible pockets and neural network scoring methods (POVME and NNScore)
Day2 – “Developing target focused libraries, hotspot mapping, screening strategies

1. Download and install the Oracle VirtualBox platform package for your operating system: https://www.virtualbox.org/wiki/Downloads
a. For Windows, detailed instructions can be found here: https://www.virtualbox.org/manual/ch02.html#installation_windows
b. For Macs, detailed instructions can be found here: https://www.virtualbox.org/manual/ch02.html#idp46856129667856
c. For Linux, detailed instructions can be found here: https://www.virtualbox.org/manual/ch02.html#install-linux-host

2. Install the Ubuntu virtual machine (VM)
a. Down load Ubuntu_15.014_NBCR.v2.ova: insert link
b. If the VirtualBox program is not running, open it by double clicking on the VirtualBox icon.
c. Select “File” -> “Import appliance”
d. Use the file dialog menu to select Ubuntu_15.014_NBCR.v2.ova and click “Continue”
e. If things have gone well, you should see something like the following:
f. Click “Import” to install the virtual machine.


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