Skip to content

Latest commit

 

History

History
 
 

scripts

Folders and files

NameName
Last commit message
Last commit date

parent directory

..
LICENSE
LICENSE
 
 
README.md
README.md
 
 
cg_scatlen.py
cg_scatlen.py
 
 
select_q_sigmas.ipynb
select_q_sigmas.ipynb
 
 

README.md

Scripts to aid preparing inputs for SANS

In this folder we have the scripts:

  • cg_scatlen.py reads a .map file generated with CG Builder and number of molecules in the system to generate a file containing the scattering lengths for each bead of the system.
  • select_q_sigmas.ipynb is a Jupyter Notebook that helps you preparing input for the PLUMED SANS calculations (using or not metainference) based on a file containing the experimental data.