New module to analize water dynamics.#300
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This module have five new analysis methods: Hydrogen Bond Lifetime (HBL) Water Orientation Relaxation (WOR) Angular Distribution (AD) Mean Square Displacement (MSD) Surivival Probability (SP)
Documentation fixed and updated.
Conflicts: testsuite/MDAnalysisTests/datafiles.py testsuite/MDAnalysisTests/test_analysis.py
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I'm solving the problem... |
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@alejob looks good, just do the following:
I don't know if you can amend this pull request or if you need a new one but just mention me in your comments so that I am directly notified and then I can do the merge (provided tests still pass). |
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Hi @orbeckst, it's done. I have a question, in CHANGELOG apparently there is a mistake, because there is a 0.10.1 version. I followed the rule number 3 (don't ever delete anything) and I didn't touch that part of the LOG. |
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On 10 Jun, 2015, at 13:08, Alejandro Bernardin wrote:
Don't worry about the 10.0.1, it will be changed. |
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@alejob : Thank you for the contribution, it will be in 0.11.0 :-) |
New module to analyze water dynamics. See: Araya-Secchi, R., Tomas Perez-Acle, Seung-gu Kang, Tien Huynh, Alejandro Bernardin, Yerko Escalona, Jose-Antonio Garate, Agustin D. Martinez, Isaac E. Garcia, Juan C. Saez, Ruhong Zhou (2014). Characterization of a novel water pocket inside the human Cx26 hemichannel structure. Biophysical Journal, 107(3), 599-612.
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Thanks you @orbeckst and @richardjgowers for your feedback. |
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Congrats on getting #300 , very cool code too! |
Instead of including names of CoC Committee members here, it would be best to move names to the Roles & Responsibilities page when it is up (MDAnalysis#300) and provide a link
Now this pull request is able to merge automatically.
This module has five new analysis methods:
Hydrogen Bond Lifetimes (HBL)
Water Orientation Relaxation (WOR)
Angular Distribution (AD)
Mean Square Displacement (MSD)
Surivival Probability (SP)
The corrections and suggestions has been added.
Thanks for the feedback.