Calculate structural representations (dihedral angles, CA pairwise distances, and strain analysis) for downstream analysis (e.g., PCA, t-SNE, or UMAP)
Project description
colav
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:
Installation
You can install colav using pip:
pip install colav
Examples
Examples of how to use the software can be found in scripts/.
Documentation
Documentation can be found here.
Support
If you are having issues, please let us know. You can contact Ammaar at aasaeed@college.harvard.edu.
License
This code is provided under the MIT license.
Reference
If you use colav in your work, please use the following citation:
Saeed, A.A., Klureza, M.A., and Hekstra, D.R. (2023). Mapping protein conformational ensembles using crystallographic drug fragment screens. doi
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distributions
Built Distribution
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
File details
Details for the file colav-0.0.1-py3-none-any.whl.
File metadata
- Download URL: colav-0.0.1-py3-none-any.whl
- Upload date:
- Size: 13.8 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.2 CPython/3.8.17
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
c19793e742d36d9e5c44598c911579d5d2ca72514da89beae930af7903827db1
|
|
| MD5 |
439d52f434a913c4401c85b54e1cbb8c
|
|
| BLAKE2b-256 |
2ce30ad6e7b1a3953f1e3a2e63c5cbe6c56c73230ffcfcc3a29fb2df34faf94f
|
