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19 Open 57 Closed
19 Open 57 Closed
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Issues list

BAC2 Tutorials ？
#77 opened Sep 23, 2024 by ErikZhang-9762
ESMACS Jupyter Notebook
#76 opened Feb 12, 2021 by GuoJeff
1
Update and verify wang2012 wsas weights for leaprc.protein.ff14SB
#74 opened Mar 24, 2020 by bieniekmateusz
@shunzhou @apbhati1
5
Add basic unit tests for most WSAS
#73 opened Mar 23, 2020 by bieniekmateusz
Investigate how Freesasa Classifier can be created programmatically
#72 opened Mar 23, 2020 by bieniekmateusz
Transition to mdtraja sasa
#70 opened Mar 23, 2020 by bieniekmateusz
1
Installation requirements in a new conda environment not documented
#69 opened Mar 23, 2020 by dww100
1
ipython notebook(s) to provide basic project description enhancement presentation
#67 opened Jun 13, 2018 by dww100
Obtain information for building from PDB header builder system preparation
#65 opened May 24, 2018 by dww100
1
Design figure from wiki missing bug
#64 opened May 24, 2018 by dww100
@sjzasada @dww100 @kristofarkas
Constraints from B factors enhancement
#62 opened Feb 2, 2018 by dww100
@dww100 @shunzhou
1
Integrate benchmarks enhancement
#56 opened Dec 11, 2017 by kristofarkas
@kristofarkas
Document origin of Mobley example documentation
#55 opened Oct 20, 2017 by dww100
@kristofarkas
Need to consider how to create and store extensions to previously run simulations enhancement
#53 opened Oct 17, 2017 by dww100
Dependency management
#51 opened Sep 4, 2017 by dww100
Create force field information handling object
#50 opened Sep 4, 2017 by dww100
Generic md class enhancement
#46 opened Jul 25, 2017 by kristofarkas Sprint 5
@kristofarkas
Implement equality and str for all classes
#43 opened Jul 18, 2017 by kristofarkas Sprint 5
@kristofarkas
Define BAC2 input folder structure
#3 opened Feb 13, 2017 by sjzasada Sprint 1
@dww100
2
ProTip! What’s not been updated in a month: updated:<2024-12-03.