Haddox score_monomeric_designs issues

Haddox / score_monomeric_designs

Computational pipeline for scoring protein designs using a variety of biophysical metrics

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PyRosetta Version

#19 Getmo112 opened 4 months ago
2
External scripts in 'make_fragments.py'

#18 GangyuSun opened 2 years ago
1
Add metric quantifying the net charge of SSEs

#17 Haddox closed 5 years ago
1
Add metric quantifying number of sc-bb Hbonds

#16 Haddox opened 5 years ago
0
Add metric giving the buried NPSA for each aa, both normalized and non

#15 Haddox opened 5 years ago
0
Add metric giving the total volume of the protein

#14 Haddox closed 5 years ago
1
compute counts of residues/loops in different ABEGO bins

#13 Haddox closed 5 years ago
2
compute change in conformational entropy for buried residues

#12 Haddox closed 5 years ago
1
compute ABEGO string for each pose

#11 Haddox closed 5 years ago
1
See if `core_clusters.py` is being used; include `networkx` in the YML?

#10 Haddox opened 5 years ago
0
Write code to read in an input file with local paths to external scripts

#9 Haddox opened 5 years ago
0
Add buried NPSA per res and buried NPSA in local neighborhoods

#8 Haddox opened 5 years ago
0
conda error when making environment from YML file

#7 Haddox opened 5 years ago
0
make everything self contained, with no external dependencies on the Baker lab server

#6 Haddox opened 5 years ago
4
Add new metrics that Gabe suggested

#5 Haddox opened 5 years ago
8
Add description of how to run the protocol to the README

#4 Haddox opened 5 years ago
0
add YML file with environmental dependencies

#3 Haddox opened 5 years ago
0
change way that the ABEGO-related scores are computed

#2 Haddox opened 5 years ago
1
change all scripts to python3 to simplify dependencies

#1 Haddox opened 5 years ago
0