Multiscale Simulation Tool for Backmapping
Project description
mstool
mstool is a multiscale simulation tool that converts a coarse-grained structure into an all-atom structure. It requires minimal user input (mapping and isomeric information of molecules) and is more powerful than the previous backmapping tools. For more details, please check out the paper and documentation.
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
mstool-0.3.6.tar.gz
(2.9 MB
view details)
Built Distribution
File details
Details for the file mstool-0.3.6.tar.gz.
File metadata
- Download URL: mstool-0.3.6.tar.gz
- Upload date:
- Size: 2.9 MB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.2 CPython/3.11.7
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 36954550564b4a21f4596de89481afbe4fac3f4a11cc312d7ed39cfe0ca8727d |
|
| MD5 | 9be3bf8d38a619da1421ada4527213c2 |
|
| BLAKE2b-256 | 5618e6e62150be2ee02f561bc6bb80aa8e10c4fa7c5f58456281fb06edaae964 |
File details
Details for the file mstool-0.3.6-cp311-cp311-macosx_11_0_arm64.whl.
File metadata
- Download URL: mstool-0.3.6-cp311-cp311-macosx_11_0_arm64.whl
- Upload date:
- Size: 3.0 MB
- Tags: CPython 3.11, macOS 11.0+ ARM64
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/4.0.2 CPython/3.11.7
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 4301d0a474b97618266433ef78afa9c19062f21192042d3727a1cc2f3af49972 |
|
| MD5 | c8c2be672ce6c309a6477cdcbc5726ae |
|
| BLAKE2b-256 | b1e6c7f03d9cb85d282f1628c6408c33f0aebfb5a89d573d045e2b84d88d5eae |
