From 6adc36fc3b5df8756306bc7f00de444caf5f43ae Mon Sep 17 00:00:00 2001 From: KimLopezGuell Date: Wed, 18 Jan 2023 22:10:55 +0000 Subject: [PATCH] Updated README again --- README.md | 44 ++++++++++++++++++++++---------------------- 1 file changed, 22 insertions(+), 22 deletions(-) diff --git a/README.md b/README.md index 512fa0b..a3c3768 100644 --- a/README.md +++ b/README.md @@ -2,16 +2,16 @@ #### Coarse-grain model of DNA flexibility with multimodality and correlations between base pairs. -The folder contains all scripts, additional functions and inputs. +The folder contains all scripts, additional functions and inputs. \ -"main_di_tetra.c" is the main file, and "dna_flex.h" is the file that contains the majority of the main code functions. Other additional utilities are "analysis.c", "energy.h", "nrutil.c", "rebuild.c", "cmn_fncs.c". +"main_di_tetra.c" is the main file, and "dna_flex.h" is the file that contains the majority of the main code functions. Other additional utilities are "analysis.c", "energy.h", "nrutil.c", "rebuild.c", "cmn_fncs.c". \ Inputs used for the discussion of the paper can be found in he folder Inputs. ## Dependencies ----------------- -The program SCHNArP [1] is needed for reconstruction of the DNA sequence to cartesian coordinates. +The program SCHNArP [1] is needed for reconstruction of the DNA sequence to cartesian coordinates. \ The program X3DNA [2] is needed for the analysis and rebuilding of the 3D structures. @@ -20,33 +20,33 @@ The program X3DNA [2] is needed for the analysis and rebuilding of the 3D struct ----------------- -If any script is changed, running makefile will compile the program again. +If any script is changed, running makefile will compile the program again. \ -To run the program, just type: +To run the program, just type: \ -`export PATH="[PATH]/SCHNArP/bin":'[PATH]/X3DNA/bin/':$PATH` \\ -`export SCHNA_AR_P="[PATH]/SCHNArP"` \\ -`export X3DNA="[PATH]/X3DNA/bin"` \\ +`export PATH="[PATH]/SCHNArP/bin":'[PATH]/X3DNA/bin/':$PATH` \ +`export SCHNA_AR_P="[PATH]/SCHNArP"` \ +`export X3DNA="[PATH]/X3DNA/bin"` \ -where [PATH] refers to whichever folder you have the programs saved in your computer. +where [PATH] refers to whichever folder you have the programs saved in your computer. \ -`cd [PATH where you have the scripts]` \\ +`cd [PATH where you have the scripts]` \ -`mkdir Result_folder` \\ -`mkdir Result_folder/analysis` \\ -`mkdir Result_folder/output` \\ -`mkdir Result_folder/output_acc` \\ -`mkdir Result_folder/output_cart` \\ -`mkdir Result_folder/output_dnaflex` \\ -`mkdir Result_folder/output_schnarp` \\ -`mkdir Result_folder/output_tables_helpar` \\ +`mkdir Result_folder` \ +`mkdir Result_folder/analysis` \ +`mkdir Result_folder/output` \ +`mkdir Result_folder/output_acc` \ +`mkdir Result_folder/output_cart` \ +`mkdir Result_folder/output_dnaflex` \ +`mkdir Result_folder/output_schnarp` \ +`mkdir Result_folder/output_tables_helpar` \ -where "Result_folder" can have any name you desire. +where "Result_folder" can have any name you desire. \ -Finally, the actual program is run by: -`./MC_Chromatin sequence.dat 5000 [PATH]/Result_folder 6` \\ +Finally, the actual program is run by: \ +`./MC_Chromatin sequence.dat 5000 [PATH]/Result_folder 6` \ -where sequence.dat has the sequence of interest (for example, "AATTAGCTA"), 5000 refers to the number of runs desired for the ensemble of outputs, and the last integer is chosen to select the type of model desired (6 stands for multimodal correlated, other types can be chosen**). +where sequence.dat has the sequence of interest (for example, "AATTAGCTA"), 5000 refers to the number of runs desired for the ensemble of outputs, and the last integer is chosen to select the type of model desired (6 stands for multimodal correlated, other types can be chosen**). \ ** 0 = individual, 1 = dimer, 2 = tetramer, 3 = tetramer with dimer end; 4 = tetramer with dimer end (multimodal); 5 = tetramer with dimer end (unimodal, with correlations between bp i and i+1, i and i-1); 6 = tetramer with dimer end (multimodal, with correlations whenever possible (bp 3 to itot-4), computed in the MC algorithm with 12x12 matrices and in selection process before MC with an Ising approach)