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analysis_of_multiple_trajectories_and_generation_of_a_csv_file_with_r

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analysis_of_multiple_trajectories_and_generation_of_a_csv_file_with_r [2016/12/09 07:36]
root [Merging data with R]
analysis_of_multiple_trajectories_and_generation_of_a_csv_file_with_r [2016/12/09 07:37] (current)
root [Merging data with R]
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 The line-command version of cMM-ISMSA generates two output file types: ''​name_res_averages''​ and ''​name_energy_averages''​. The former files contain the interaction of the ligand decomposed per residue.\\ The line-command version of cMM-ISMSA generates two output file types: ''​name_res_averages''​ and ''​name_energy_averages''​. The former files contain the interaction of the ligand decomposed per residue.\\
  
-In order to summarize all these file in an Excel spreadsheet,​ the powerful R program (https://​www.r-project.org) can be used. As an example, here is a simple script to generate the file new.csv (**presentaR.sh**).\\+In order to summarize all these file in an Excel spreadsheet,​ the powerful R program (https://​www.r-project.org) can be used. As an example, here is a simple script to generate the file new.csv (**presentR.sh**).\\
  
  
analysis_of_multiple_trajectories_and_generation_of_a_csv_file_with_r.txt ยท Last modified: 2016/12/09 07:37 by root