Skip to content

membrane-systems/PCAlipids

Repository files navigation

PCALipids

Principal component analysis is a standard approach to study conformational changes in biological molecules, in particular when the free energy lanscape has only one global minima. PCAlipids is a Python-based software that performs complete quantitative analysis of conformations and dynamics of lipids or other small molecules. The information about the approach can be found in the following papers:

You can find the information on installation and a brief tutorial here.

Contacts

If you have any questions about using the PCALipids, please contact:

  • Khalid Mustafin - developer of PCAlipids; code-related questions
  • Pavel Buslaev - [email protected] applying PCAlipids, developer of PCAlipids
  • Ivan Gushchin - [email protected] general questions & supervision

About

Scripts for PCA and related analyses of lipid motions

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published