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Improve the domain boundary detection #3

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lafita opened this issue Mar 26, 2019 · 1 comment
Open

Improve the domain boundary detection #3

lafita opened this issue Mar 26, 2019 · 1 comment
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enhancement New feature or request

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@lafita
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lafita commented Mar 26, 2019

The current implementation only removes terminal residues without a single contact, but this is clearly insufficient for most cases where the boundaries of the domain are extended and causes the dGjoin to be very instable and has a lot of influence on the final estimation.

Removing any additional terminal residues in the domain is necessary to produce comparable results and make the method fully automated so it does not depend so much on how the domain boundaries where chosen.

@lafita lafita added the enhancement New feature or request label Mar 26, 2019
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lafita commented Feb 19, 2020

  • Use long rage contacts instead of any contact as discriminator for the boundaries.

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