 JonStargaryen
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8b4603d5a1
semicolon
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il y a 5 ans |
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JonStargaryen
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cc6dce8845
numModels param for first model
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il y a 5 ans |
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JonStargaryen
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b2eac8092c
cleanup
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il y a 5 ans |
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JonStargaryen
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a22362bac8
hydrogen flag
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il y a 5 ans |
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JonStargaryen
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298b283686
revert config
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il y a 5 ans |
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JonStargaryen
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14f4de2e3f
revert config
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il y a 5 ans |
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JonStargaryen
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9bde4c40b0
enforce first model
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il y a 5 ans |
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JonStargaryen
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61390cb64f
group by query
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il y a 5 ans |
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Alexander Rose
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1b67bc41f5
explicit pdbqt provider
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il y a 5 ans |
|
Alexander Rose
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5b698b816e
basic partial charge and pdbt support
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il y a 5 ans |
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Alexander Rose
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bf9303ea80
number parser fix, handle prefixed plus sign
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il y a 5 ans |
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JonStargaryen
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017676c148
path TODO
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il y a 5 ans |
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JonStargaryen
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526f7700b2
cleanup
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il y a 5 ans |
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JonStargaryen
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220e01106f
lint
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il y a 5 ans |
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JonStargaryen
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240de5b24d
cleanup
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il y a 5 ans |
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JonStargaryen
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17a001427b
spelling
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il y a 5 ans |
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JonStargaryen
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a423970b9c
basic ligand writing
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il y a 5 ans |
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JonStargaryen
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56f4c8775f
cleanup
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il y a 5 ans |
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JonStargaryen
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5ed4aa0fae
SdfFile tweaks
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il y a 5 ans |
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JonStargaryen
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4f4245b895
sdf def, reader, spec
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il y a 5 ans |
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JonStargaryen
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bc6d2112e2
refactoring
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il y a 5 ans |
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JonStargaryen
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3b2b87d264
tweaks to sdf output
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il y a 5 ans |
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Alexander Rose
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181646f052
membrane orientation tweaks
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il y a 5 ans |
|
Alexander Rose
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ea5a945810
Merge pull request #47 from JonStargaryen/anvil
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il y a 5 ans |
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JonStargaryen
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7cfdc8ab1b
lint
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il y a 5 ans |
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JonStargaryen
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52e011ade9
wip query mode
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il y a 5 ans |
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JonStargaryen
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895e2ede2d
mol2 stub
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il y a 5 ans |
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JonStargaryen
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3a25769a94
style
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il y a 5 ans |
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JonStargaryen
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5db4b48a86
putative check for compatible encoding
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il y a 5 ans |
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Alexander Rose
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aa2899bfbd
fix sequence label for non-standard residues, #70
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il y a 5 ans |
