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mDCC_tools 0.91.g documentation
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Welcome to mDCC tools’s documentation!
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Introduction
What is mDCC?
mDCC tools
Installation
License
Tutorial 1: Engeneered Endothelin-1 peptide dimer
System
Preparation
Pattern recognition
Assigning the trajectory on the patterns
Calculating the mDCC
Calculating the conventional DCC
Calculating the interatomic distance
Gathering the data into SQLite database
Visualizing the data with R
Network analysis
About computation times
Tutorial 2: Artificial 1D data
Preparation
Pattern recognition
Assigning the trajectory on the patterns
Calculating the mDCC and DCC
Results
Data format
.trrmdcc format
Appendix: Additional information for the installation
Installation of various dependencies for mDCC
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