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Develop-MCCE
Develop-MCCE PublicThis repo is code under development, some parts may not work properly.
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Chromatophore_Large_System_Simulation
Chromatophore_Large_System_Simulation PublicForked from jvant/Chromatophore_Large_System_Simulation
Contain herein are scripts for making an all atom model of a chromatophore from Rhodobacter sphaeroides, as well as configuration scripts for MD and BD simulations of the aforementioned model using…
Tcl
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For benchmarking MCCE experiments viz experimental pKas or viz other MCCE experiments (A/B testing)
GunnerLab/MCCE_Benchmarking’s past year of commit activity - MCCE_ProtInfo Public
Provide information about a protein pdb file on its structure and issues flagged in the run.log produced by MCCE's step1.py.
GunnerLab/MCCE_ProtInfo’s past year of commit activity - MCCE_crgms Public
For developing charge analysis with correlation and top_N charge microsstates csv creation
GunnerLab/MCCE_crgms’s past year of commit activity - RCs_parameters Public
GunnerLab/RCs_parameters’s past year of commit activity - Chromatophore_Large_System_Simulation Public Forked from jvant/Chromatophore_Large_System_Simulation
Contain herein are scripts for making an all atom model of a chromatophore from Rhodobacter sphaeroides, as well as configuration scripts for MD and BD simulations of the aforementioned model using the simulation package NAMD. Additionally, there are scripts to run APBS calculations.
GunnerLab/Chromatophore_Large_System_Simulation’s past year of commit activity
