######################################## ######### Directory structure ########## ######################################## 1. ./LengthAndAngleRuns - Contains all the simulation data of the FFEA simulations used to parameterise the axonemal dynein model based on experimental observations ./LengthAndAngleRuns/ADPVI - Contains all of the simulation input files for the ADPVI model ./LengthAndAngleRuns/APO - Contains all of the simulation input files for the APO model 2. ./AxonemeExploration - Contains all the simulation data of the FFEA simulations used to predict the crowded diffusional behaviour of the axonemal dynein model when confined in the axonemal structure ./AxonemeExploration/Interaction0 - Contains all of the simulation input files for models with zero interaction with the axoneme ./AxonemeExploration/Interaction1e14 - Contains all of the simulation input files for models with a weak interaction with the axoneme ./AxonemeExploration/Interaction1e15 - Contains all of the simulation input files for models with a strong interaction with the axoneme 3. ./ChemomechanicalSwitching - Contains all the simulation data of the FFEA simulations used to mimic the chemo-mechanical cycle of the axonemal dynein model when confined in the axonemal structure ./ChemomechanicalSwitching/scripts - Contains the FFEA input scripts for the axonemal dynein chemomechanical cycle model ./ChemomechanicalSwitching/axoneme - Contains the FFEA structure and kinetics files for the axonemal dynein chemomechanical cycle model ######################################## ### Simulation and Analysis Protocol ### ######################################## Dependencies: Dependencies for entire simulation suite Cmake g++ FFEA (https://bitbucket.org/FFEA/ffea/branches/, axoneme_switch branch) Eigen (3.3.7) Boost (1.69) ###### Length and Angle Fluctuations ###### 1. Run FFEA simulation sweep # This is a bash script method. If uncomfortable, you can run them manually cd ./LengthAndAngleRuns ./build_and_run.sh ###### Axonemal exploration ###### 1. Run the FFEA simulation for each model system (run multiple copies for statistics) cd ./AxonemeExploration/Interaction0 ffea ADPVI_axoneme.ffea cd ./AxonemeExploration/Interaction1e14 ffea ADPVI_axoneme.ffea cd ./AxonemeExploration/Interaction1e15 ffea ADPVI_axoneme.ffea ###### Chemo-kinetic cycle ###### 1. Run the FFEA simulation for the model (rates can be altered in the .ffea script if required) cd ./ChemomechanicalSwitching/scripts ffea chemo_axoneme_switching.ffea