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3dg
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fb0634a0f4
added semicolons to linting rules
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5 anni fa |
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_spec
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3384a8630b
Merge pull request #71 from JonStargaryen/sdf
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5 anni fa |
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ccp4
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e2857d00b4
volume label improvements
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5 anni fa |
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cif
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fad5a40ec4
Merge remote-tracking branch 'upstream/master' into chem-comp
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4 anni fa |
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common
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bf9303ea80
number parser fix, handle prefixed plus sign
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5 anni fa |
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csv
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fb0634a0f4
added semicolons to linting rules
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5 anni fa |
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cube
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4b1d1a045d
cube tweaks
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5 anni fa |
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dcd
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97612bf044
dcd nd coordinates fixes/tweaks
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5 anni fa |
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dsn6
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e2857d00b4
volume label improvements
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5 anni fa |
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dx
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e2857d00b4
volume label improvements
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5 anni fa |
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gro
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fb0634a0f4
added semicolons to linting rules
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5 anni fa |
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mol
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4f4245b895
sdf def, reader, spec
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5 anni fa |
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mol2
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82451bff00
mol2 fixes
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4 anni fa |
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obj
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fb0634a0f4
added semicolons to linting rules
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5 anni fa |
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pdb
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1b67bc41f5
explicit pdbqt provider
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5 anni fa |
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ply
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fb0634a0f4
added semicolons to linting rules
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5 anni fa |
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psf
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fb0634a0f4
added semicolons to linting rules
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5 anni fa |
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sdf
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5ed4aa0fae
SdfFile tweaks
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5 anni fa |
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xtc
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0b14381255
mol-io: XTC parser
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5 anni fa |
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cif.ts
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fb0634a0f4
added semicolons to linting rules
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5 anni fa |
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result.ts
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fb0634a0f4
added semicolons to linting rules
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5 anni fa |
Alexander Rose
82451bff00
mol2 fixes