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analysis_of_multiple_trajectories_and_generation_of_a_csv_file_with_r [2016/06/16 16:10]
root
analysis_of_multiple_trajectories_and_generation_of_a_csv_file_with_r [2016/12/09 07:37]
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 sheet, the powerful R program (https://​www.r-project.org) can be used. As example, here there is a simple script to generate the file nuevo.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**).\\
  
  
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 done\\ done\\
 \\ \\
-echo "nuevo <- merge(d300,​d301,​ by=\"​V1\"​)"​ >> merging.r\\+echo "new <- merge(d300,​d301,​ by=\"​V1\"​)"​ >> merging.r\\
 for i in `seq 302 1 500`;do\\ for i in `seq 302 1 500`;do\\
-echo "nuevo <- merge(nuevo,​d"​$i",​ by=\"​V1\"​)"​ >> merging.r\\+echo "new <- merge(new,​d"​$i",​ by=\"​V1\"​)"​ >> merging.r\\
 done\\ done\\
-echo "​write.csv(nuevo,\"nuevo.csv\"​)"​ >> merging.r\\+echo "​write.csv(new,\"new.csv\"​)"​ >> merging.r\\
 R --slave --vanilla < merging.r\\''​ R --slave --vanilla < merging.r\\''​
analysis_of_multiple_trajectories_and_generation_of_a_csv_file_with_r.txt ยท Last modified: 2016/12/09 07:37 by root