Published November 7, 2015
| Version 1.5.1
Software
Open
mdtraj: MDTraj 1.5.1
Authors/Creators
- Robert T. McGibbon1
- Kyle Beauchamp
- Matthew Harrigan2
- Christoph Klein3
- Jason Swails4
- Carlos Hernández1
- Christian Schwantes5
- pfrstg
- Lee-Ping
- TJ Lane1
- Teng Lin6
- Tim Moore
- Martin K. Scherer7
- raviramanathan
- Joshua Adelman8
- ChayaSt
- gkiss
- Hai Nguyen4
- Yutong Zhao1
- msultan
- John Chodera9
- Andrea Zonca10
- Thomas Peulen
- Ondrej Marsalek1
- fabian-paul
- Anton Goloborodko11
- ag198912
- 1. Stanford University
- 2. Pande Lab
- 3. Vanderbilt University
- 4. Rutgers University
- 5. DeepMile Networks
- 6. Schrödinger
- 7. CMB group - Free University Berlin
- 8. University of Pittsburgh
- 9. Memorial Sloan-Kettering Cancer Center
- 10. San Diego Supercomputer Center
- 11. MIT
- 12. Technische Universität München
Description
This release includes important bugfixes identified in the 1.5.0 release.
- A recent change (merged Nov 5) caused compute_chi4 to compute chi3 angles (#981).
- Revert changes in setup.py that resulted in a more confusing error when cython is not installed at build-time (#985).
Files
mdtraj-1.5.1.zip
Files
(18.2 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:8ba0933fdadc840f60347dbf60b3aa77
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18.2 MB | Preview Download |
Additional details
Related works
- Is supplement to
- https://github.com/mdtraj/mdtraj/tree/1.5.1 (URL)