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v1.0.9

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@hainm hainm released this 31 Aug 05:18
· 475 commits to master since this release

What's new (vs v1.0.7)

  • ADD: support xtc format
  • ADD: support hieragglo and dbscan clustering
  • ADD: pytraj.io.read_data and pytraj.io.write_data
  • ADD: progress bar
  • ADD: pytraj.density
  • ADD: pytraj.gist
  • ADD: pytraj.image
  • ADD: pytraj.io.load_leap to use tleap
  • ADD: pytraj.io.load_antechamber to load file formats that antachamber supports
  • ADD: pytraj.datafiles.convert for data file convert (e.g dx to ccp4, ...)
  • FIX: do not link to libsander
  • ENH: setup.py

Note I (Hai) messed up with version, so v1.0.8.1 installed by conda is equal to 1.0.9 installed by pi.

from conda: conda install -c ambermd pytraj
from pip: pip install pytraj