Skip to content

Commit

Permalink
Update README.md
Browse files Browse the repository at this point in the history
  • Loading branch information
Dialpuri authored Sep 14, 2023
1 parent a6c85be commit a8c3f82
Showing 1 changed file with 1 addition and 0 deletions.
1 change: 1 addition & 0 deletions README.md
Original file line number Diff line number Diff line change
@@ -1,6 +1,7 @@
![ScreenShot](/logo.png)

# Privateer
![Privateer Build](https://github.com/glycojones/privateer/actions/workflows/main.yml/badge.svg)
Privateer is a tool for carbohydrate structure validation, re-refinement and graphical analysis. It carries out automatic assignments of ring conformation (IUPAC nomenclature), anomeric form, absolute configuration and comparison to reference values for validation. It computes omit mFo-DFc maps and calculates a correlation coefficient between model and electron density. For structure refinement, it is able to generate chemical dictionaries with unimodal torsion restraints which will help keep the lowest energy conformation. In terms of graphical analysis, it will produce vector diagrams in SNFG nomenclature (SVG format), which are annotated using the validation information (ring conformation, anomeric form, etc).

Privateer is implemented in C++11 and Python3 (via pybind11), and produces Scheme and Python scripts for use with Coot (https://github.com/pemsley/coot).
Expand Down

0 comments on commit a8c3f82

Please sign in to comment.