Skip to content
#

pqr-files

Here is 1 public repository matching this topic...

A script able to extract ligands from pdb structure(s) and remove them from the original structure. The ligands are identified according to the *valid* ligands found in the binding MOAD database. The ligand can be extracted as a pdb or as a xyz (coordinate) file. Other options such as converting the queried pdb to pqr are available .

  • Updated Jul 13, 2022
  • Python

Improve this page

Add a description, image, and links to the pqr-files topic page so that developers can more easily learn about it.

Curate this topic

Add this topic to your repo

To associate your repository with the pqr-files topic, visit your repo's landing page and select "manage topics."

Learn more