Zinc exact lookup by http: Difference between revisions
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(Created page with "New ZINC lookup features wget -q --post-file smiles-to-lookup.smi "http://zinc.uoft.bkslab.org:8080/inchi -O- ZINC01586379 ZINC00000053 ZINC15202372 wget -q --post-file...") |
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New ZINC lookup features | New ZINC lookup features | ||
wget -q --post-file smiles-to-lookup.smi " | wget -q --post-file smiles-to-lookup.smi "https://zinc.uoft.bkslab.org:8080/inchi -O- | ||
ZINC01586379 | ZINC01586379 | ||
ZINC00000053 | ZINC00000053 | ||
ZINC15202372 | ZINC15202372 | ||
wget -q --post-file smiles-to-lookup.smi " | wget -q --post-file smiles-to-lookup.smi "https://zinc.uoft.bkslab.org:8080/inchikey -O- | ||
ZINC01586379 | ZINC01586379 | ||
ZINC00000053 | ZINC00000053 | ||
ZINC15202372 | ZINC15202372 | ||
curl -d 'Cc1ccc(cc1C)c2nnc(o2)NC(=O)c3cccc(c3)[N+](=O)[O-]' ' | curl -d 'Cc1ccc(cc1C)c2nnc(o2)NC(=O)c3cccc(c3)[N+](=O)[O-]' 'https://zinc.uoft.bkslab.org:8080/inchi' | ||
ZINC05371990 | ZINC05371990 | ||
To use the "old" (official) method would look something like this: | To use the "old" (official) method would look something like this: | ||
curl | curl https://zinc.docking.org/results/structure -F structure.similarity=identity -F structure.upload=@test.smi -F page.format=smiles | ||
COCc1ccccc1 ZINC01586379 | COCc1ccccc1 ZINC01586379 | ||
CC(=O)Oc1ccccc1C(=O)[O-] ZINC00000053 | CC(=O)Oc1ccccc1C(=O)[O-] ZINC00000053 | ||
| Line 23: | Line 23: | ||
[[Category:ZINC]] | [[Category:ZINC]] | ||
[[Category:Obsolete]] | |||
Latest revision as of 01:18, 24 May 2024
New ZINC lookup features
wget -q --post-file smiles-to-lookup.smi "https://zinc.uoft.bkslab.org:8080/inchi -O- ZINC01586379 ZINC00000053 ZINC15202372
wget -q --post-file smiles-to-lookup.smi "https://zinc.uoft.bkslab.org:8080/inchikey -O- ZINC01586379 ZINC00000053 ZINC15202372
curl -d 'Cc1ccc(cc1C)c2nnc(o2)NC(=O)c3cccc(c3)[N+](=O)[O-]' 'https://zinc.uoft.bkslab.org:8080/inchi' ZINC05371990
To use the "old" (official) method would look something like this:
curl https://zinc.docking.org/results/structure -F structure.similarity=identity -F structure.upload=@test.smi -F page.format=smiles COCc1ccccc1 ZINC01586379 CC(=O)Oc1ccccc1C(=O)[O-] ZINC00000053 CC(=O)NCCC[C@@]1(C(=O)NC(=O)N1)Cc2ccccc2 ZINC15202372 CC(=O)NCCC[C@]1(C(=O)NC(=O)N1)Cc2ccccc2 ZINC15202375