colav (Conformational Landscape Visualization) provides tools for representing protein structures and mapping conformational landscapes.
colav supports calculations for dihedral angles, pairwise distances, and strain. It is built on biopandas, NumPy, and SciPy. The methods analyze .pdb files, either one-by-one or all together. The three methods currently implemented are:
You can install colav using pip:
pip install colav
Documentation can be found here.
Examples of how to use the software can be found in scripts/.
If you are having issues, please email Ammaar at aasaeed@college.harvard.edu or file an issue.
This code is provided under the MIT license.
If you use colav in your work, please use the following citation:
Saeed, A.A., Klureza, M.A., and Hekstra, D.R. (Forthcoming!). Mapping protein conformational ensembles using crystallographic drug fragment screens. doi