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Added pdb_selb to filter by B-factor values #164
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Hi @ahmedselim2017 !
Thanks for your contribution. I like the way to presented the PR, everything follows the pdb-tools
strategy and architecture. I left some comments I think you should address.
@amjjbonvin @JoaoRodrigues The new tool here follows the pdb-tools
"one script one job" paradigm and is something we don't have yet. Personally, I like it. Once the comments are addressed I agree with merging it. It should be [FEATURE]
.
Cheers,
#!/usr/bin/env python | ||
# -*- coding: utf-8 -*- | ||
# | ||
# Copyright 2024 Ahmed Selim Üzüm |
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I am not sure if you can directly claim the whole copy right for this script has many of the sections are copied or based on the original pdb-tools
project. For clarity and fairness, I suggest stating that the copyright if both from the pdb-tools
project and yours.
opinon @JoaoRodrigues ?
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Of course! Since most scripts in the repository usually have only one author listed, I hadn't thought about that. Also, should I update the __author__
and __email__
parts as well, or only the copyright part?
Hi,
I was working on some Alphafold predictions and needed a tool to filter with B-factor and saw #163. So I have written a script called
pdb_selb
to filter atoms by their B-factor values.However, as the signs
<
and>
may interfere with shell redirect commands, I have added an option to select the operator that should be used instead of directly writing the operation and the threshold value as the same option.Also, I have added tests and documentation for
pdp_selb
. But, as this is my first time contributing to this project please let me know if you have any feedback or improvement ideas!