Setting grid dimensions for Vina

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Setting grid dimensions for Vina

Postby arosko » Fri Feb 21, 2014 12:03 am

When using the VIna wizard, is there any way to set the grid box center and dimensions by typing numbers instead of by dragging points with the mouse? This would help with comparing docking results performed in batch mode using PyRx with results performed individually using a Vina configuration file (where the coordinates must be specified numerically).
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Re: Setting grid dimensions for Vina

Postby sargis » Fri Feb 21, 2014 9:09 pm

Good question. Yes, you can do this since PyRx version 0.9 http://pyrx.sourceforge.net/blog/106-py ... nouncement

Thank you for using PyRx!
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Re: Setting grid dimensions for Vina

Postby arosko » Fri Feb 21, 2014 10:06 pm

So I need to purchase the newest version--I can't do this with version 0.8 like it was stated in another thread on here about this topic?
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Re: Setting grid dimensions for Vina

Postby sargis » Fri Feb 21, 2014 10:31 pm

arosko wrote:So I need to purchase the newest version

Yes if you are on Windows. You can still get 0.9 version for free if you are on Linux.
arosko wrote:I can't do this with version 0.8 like it was stated in another thread on here about this topic?

You probably can depending how much coding skills you have and mow much time are you willing to spend on that.
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