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add the default radius for the element #1118

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autodataming
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add the default radius for the element

add the default radius for the element
@JoaoRodrigues
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I'm sorry, but I have no idea what you want to achieve with this and the other two pull requests: #1119 and #1120 . What is your motivation? What use case would you have for this?

Also, you should have a look at other files in the Bio.PDB module to get a sense of how they are structure. Namely, the copyright notice at the top of the file, naming conventions, etc.

This was referenced Apr 11, 2017
@peterjc
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peterjc commented Apr 17, 2017

@autodataming could you explain what it is you are trying to do here?

@autodataming
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@peterjc I want to calculate the surface of the protein.

@JoaoRodrigues
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JoaoRodrigues commented Apr 18, 2017

@autodataming There are at least three modules that do so already: ResidueDepth (uses MSMS), NACCESS (uses NACCESS), and HSExposure (does not have dependencies).

Why would you want to store this data (radii alone) without any other accessory code to calculate surfaces?

@peterjc
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peterjc commented Dec 28, 2017

I'm going to close this issue for now - if you have a more detailed idea please do get back to us @autodataming - thank you!

@peterjc peterjc closed this Dec 28, 2017
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3 participants