Hello,
about contact map in molecular dynamics simulation.
I obtained the contact map of the protein-ligand complex using this command:
gmx distance -f md.xtc -s md.tpr -n index.ndx -oall contact.xvg
The output file is .xvg file. I don't know how to convert this file into a contact map image.
I want this analysis to revise the article.
Thank you
The .xvg file is essentially a text file that can be converted to a more commonly used format like CSV. You can do this by simply renaming the file extension or using a text editor to save it as a .csv file. Alternatively, you can use a script to parse the .xvg file and extract the data.
Vahid Abbasian Thank you for your answer, sepas.
I recently made map contact diagram through one of the tools (chart) in Discovery Studio software.
regards
- Badges
- Science topic
- Similar topics
- Engineering
- Electrical Engineering