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Laumalo rotamers #4

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Laumalo rotamers #4

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c3d7165
Move data files
martimunicoy Aug 4, 2020
783fa85
Merge branch 'master' of https://github.com/martimunicoy/offpele-benc…
martimunicoy Aug 4, 2020
c8de274
Updated files
laumalo Aug 5, 2020
64670cc
Updated files
laumalo Aug 5, 2020
52e9505
Merge branch 'master' into laumalo-rotamers
martimunicoy Aug 7, 2020
c904357
Fixes after merge conflicts
martimunicoy Aug 7, 2020
5ebe832
Fix plop_set PDB atom names
martimunicoy Aug 7, 2020
12945e7
Add some templates for PlopRotTemp and offpele
martimunicoy Aug 7, 2020
39e19e7
Fix conflicts from previous merge
martimunicoy Aug 7, 2020
3a19749
Complete missing parts in rotamer tests
martimunicoy Aug 7, 2020
66f1ee6
Fix wrong path
martimunicoy Aug 7, 2020
a6147c8
Update utils.py
laumalo Aug 7, 2020
2e7e680
Update plop set templates
martimunicoy Aug 8, 2020
ed6f2b6
Merge branch 'laumalo-rotamers' of https://github.com/martimunicoy/of…
martimunicoy Aug 8, 2020
76bfeb9
Handle files with context
martimunicoy Aug 8, 2020
cc03f01
Merge branch 'laumalo-rotamers' of https://github.com/martimunicoy/of…
martimunicoy Aug 8, 2020
6f41875
Merge branch 'laumalo-rotamers' of https://github.com/martimunicoy/of…
martimunicoy Aug 8, 2020
0f961ed
Update plop_set templated
martimunicoy Aug 8, 2020
7bd6b9a
Add general scripts
martimunicoy Aug 10, 2020
5b49974
Add rotamer analysis to repo
martimunicoy Aug 24, 2020
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182 changes: 0 additions & 182 deletions benchmarks/Plop_ligands/mae/1.mae
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202 changes: 0 additions & 202 deletions benchmarks/Plop_ligands/mae/10.mae
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