tdgrant1 / denss

Calculate electron density from a solution scattering profile
GNU General Public License v3.0
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Read .out files directly #2

Closed jbhopkins closed 6 years ago

jbhopkins commented 7 years ago

Tom,

I hope you don't mind, I've been playing with your code, and ported a bit of functionality from RAW to make it easier to use. Here's what I've done:

You may also notice some other line changes that haven't really changed, as my editor automatically removes excess spaces and trailing empty lines.

Hope that helps.

jbhopkins commented 6 years ago

Updated to make it compatible with new master branch. Needs to be tested . . .