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Lucy-Forrest-Lab
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HDXer
HDXer is a package to compute Hydrogen-Deuterium exchange data from biomolecular simulations, compare to experiment, and perform ensemble refinement to fit a structrual ensemble to the experimental data
BSD 3-Clause "New" or "Revised" License
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SafeConfigParser() (Deprecated since py3.2) incompatible with latest versions of Miniconda
#10
alexisiddiqui
opened
2 weeks ago
0
Issues with NaNs When Re-weighting Deuterated Fractions from MD
#9
yabmtm
closed
8 months ago
8
shape of numpyarray requires more than one time point for reweighting
#8
fabsugar
opened
1 year ago
1
Error in re-weighting step for multichain proteins
#7
gilbertovgx
closed
1 year ago
2
MDtraj discontinued
#6
fabsugar
opened
1 year ago
0
Fixing error while reading seg file in Python ~=3.8
#5
r78v10a07
closed
1 year ago
1
Line 176 is throwing ValueError when the seg file is with two columns in Python 3.8
#4
r78v10a07
closed
1 year ago
10
Problems running MaxEnt in the tutorial 03_reweighting notebook
#3
r78v10a07
opened
1 year ago
8
reweighting error
#2
rupeshagarwal
opened
2 years ago
1
Std. Dev. across trajectory blocks
#1
rupeshagarwal
opened
2 years ago
7