Published August 5, 2024
| Version v0.4.0
Software
Open
drorlab/pensa: PENSA 0.4.0
Creators
- 1. Schrödinger, Inc.
- 2. university of dundee
- 3. Stanford University
- 4. Ho Chi Minh City University of Technology
- 5. @bandism
Description
- Rewrite H-bond feature functions to use MDAnalysis (angle + distance criterion)
- Retain the old functions (only a distance criterion) for quick screening
Files
drorlab/pensa-v0.4.0.zip
Files
(42.5 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:43e3cce4664a1484794de2533e1a4ce2
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42.5 MB | Preview Download |
Additional details
Related works
- Is supplement to
- Software: https://github.com/drorlab/pensa/tree/v0.4.0 (URL)