v1.0.9
What's new (vs v1.0.7)
- ADD: support
xtc
format - ADD: support
hieragglo
anddbscan
clustering - ADD:
pytraj.io.read_data
andpytraj.io.write_data
- ADD: progress bar
- ADD:
pytraj.density
- ADD:
pytraj.gist
- ADD:
pytraj.image
- ADD:
pytraj.io.load_leap
to usetleap
- ADD:
pytraj.io.load_antechamber
to load file formats thatantachamber
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