Published July 31, 2023
| Version v0.9.3
Software
Open
marrink-lab/vermouth-martinize: v0.9.3
Description
New Features & Updates
- All modifications for all protonation states in Martini3 were added. Automatic detection of protonation states should work. Limited support for selected M2 force-fields has been added. Protonation state modifications are supported when mapping from AMBER or CHARMM #529
- small lint of bin/martinize2 executable #532
- a typo in pdb.py which caused DSSP to fail was fixed. Thank you @juminlee! #524
Files
marrink-lab/vermouth-martinize-v0.9.3.zip
Files
(2.9 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:e785ab216877b9f967061becbaa6aece
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2.9 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/marrink-lab/vermouth-martinize/tree/v0.9.3 (URL)