Preparation package for molecular docking
Project description
DockForge
A Python package for preparing proteins and ligands for molecular docking.
Includes: hydrogen addition, charge assignment, format conversion, cleanup.
Requirements
Requires Open Babel to be installed separately. Install via:
brew install open-babel or conda install -c conda-forge openbabel
See Open Babel installation instructions.
Also requires PDBfixer. Install via:
conda install -c conda-forge pdbfixer
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 Distribution
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 dockforge-1.0.tar.gz.
File metadata
- Download URL: dockforge-1.0.tar.gz
- Upload date:
- Size: 14.7 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/6.1.0 CPython/3.10.18
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
c7a1d26ec77232428d593f8094bf0c863bfd6649494ee17b270168477d02ada6
|
|
| MD5 |
4c3fb3fdcc1dc0fed529232054a0efd9
|
|
| BLAKE2b-256 |
ed454256e9021b956079e21dfecd2c6f344be9b559cefe634aff2376542c258f
|
File details
Details for the file dockforge-1.0-py3-none-any.whl.
File metadata
- Download URL: dockforge-1.0-py3-none-any.whl
- Upload date:
- Size: 13.8 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/6.1.0 CPython/3.10.18
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
bbaa260d33b0b28205a09f82f685a7aeeee64ff15cdd6299b5e94595ed35894c
|
|
| MD5 |
4d56491878eb7984e4604cafa4f56222
|
|
| BLAKE2b-256 |
35536b26a26b80561c53681e6157a0a72c5e1c6650516609830ae9b6aa19e9d5
|
