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organize the folder
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Zhuohan1999 committed Feb 20, 2024
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# Tutorials

This folder provides tutorials for setting up and performing simulations of a human nucleus using existing parameters (HFF_100KB), for computing the contact probabilities and optimizing interaction parameters (analysis_code), and for choosing proper initial configurations from the relaxed configuration pool (init_configs).
This folder provides tutorials for setting up and performing simulations of a human nucleus using existing parameters (HFF_100KB), for computing the contact probabilities (analysis code), for optimizing chr-chr interaction parameters (chr_chr_optimization), for optimizing chr-NL interaction parameters (chr_NL_optimization), and for choosing proper initial configurations from the relaxed configuration pool (init_configs).

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- compute_contact_prob.ipynb: call and computes the contact probabilities (DamID, TSASeq, and chr-chr)

- chr_chr_optimization.ipynb: call and optimizes the chromosome-chromosome interactions (ideal, compt-compt, interchr)

- chr_NL_optimization.ipynb: call and optimizes the chromosome-nuclear landmarks interactions (chr-spe, chr-lam)

- DamID-OE.txt: experimental DamID sequencing data

- TSA-Seq-OE.txt: experimental TSASeq sequencing data

- contact_calculation: execution file compiled from Fortran code "../../openNucleome/utility/chromosome_contact_calculation.f90"

- mol_info: save all the molecular information files necessary for computing contact probabilities

- adam_chr_chr_param: save all the parameters used in the adam optimization for the chromosome-chromosome interactions

- adam_chr_NL_param: save all the parameters used in the adam optimization for the chromosome-nuclear landmarks interactions

- potential: save all the potentials used in the simulations of different iterations

- frame_10.dcd: trajectory file example which contains 10 frames
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## Analysis code

- chr_NL_optimization.ipynb: call and optimizes the chromosome-nuclear landmarks interactions (chr-spe, chr-lam)

- DamID-OE.txt: experimental DamID sequencing data

- TSA-Seq-OE.txt: experimental TSASeq sequencing data

- mol_info: save all the molecular information files necessary for computing contact probabilities

- adam_chr_NL_param: save all the parameters used in the adam optimization for the chromosome-nuclear landmarks interactions

- potential: save all the potentials used in the chr-NL interactions

- frame_10.dcd: trajectory file example which contains 10 frames
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## Molecular information

- gLengthFile.txt: The difference between each two neighboring values in the file represents the length of the chromosome

- maternalIdxFile.txt: Index of each maternal chromosome

- paternalIdxFile.txt: Index of each paternal chromosome
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4981 7402
9825 11807
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17597 19412
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This folder includes all the parameter files needed for the chr-NL interactions

- chr_lam_spec.txt: Chromosome-lamina interaction parameters

- chr_spec_param.txt: Chromosome-speckle interaction parameters

- chr_nuc_param.txt: Chromosome-nucleoli interaction parameters
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