Skip to content

mackerell-lab/silcs-rna_paper

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

5 Commits
 
 
 
 
 
 

Repository files navigation

Supplementary Data for SILCS-RNA paper


FragMaps

The directory contains the SILCS FragMaps for all 7 RNAs studied in the paper along with an SDF file with all the respective ligands.

To visualize the FragMaps

  1. Download the repository

git clone https://github.com/mackerell-lab/silcs-rna_paper.git OR [Click Here]

  1. Enter the directory for an RNA

cd FragMaps/fmn/

  1. Unzip the compressed fragmaps

tar -xzf silcs_fragmaps_5kx9.tgz

  1. Enter the directory

cd silcs_fragmaps_5kx9

  1. Use VMD or PyMOL to visualize

vmd -e view_maps.vmd OR pymol view_maps.pml


GCMC - Grand Canonical Monte Carlo (GCMC) Code

The directory contains the executable for GCMC code used in the SILCS-RNA paper: gcmc_v1.4.10

  • Should run in Unix/Linux environments.

Usage : gcmc_v1.4.10 <input_file> <output_file> {optional: -nt <number_of_threads> }

An example is provided with all inputs and outputs in the example.tgz file.

About

Data for SILCS-RNA paper

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published