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Created: 24/05/11 @ 13:13:52 | Last updated: 24/05/11 @ 14:19:24
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License: Creative Commons Attribution-Share Alike 3.0 Unported License
This workflow takes the input file containing chemical names and returns a single SDF file of structures. The names are searched against pubchem compounds via e-search.
If the compound name is found an XML file containing PubChem ID is returned.The max return compound_ID is set to 1 which could be increased. If the compound name is not found then no ID is returned.
The pubchem compound_ID is then used to download structures from PubChem.
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Created: 15/08/11 @ 13:05:14 | Last updated: 15/08/11 @ 13:05:16
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License: Creative Commons Attribution-Share Alike 3.0 Unported License
Split string into string list using new line as separator. Should work in Linux, Mac and Windows.
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Created: 09/04/10 @ 14:52:02
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License: Creative Commons Attribution-Share Alike 3.0 Unported License
BioClipse script to split a SD-file into multiple smaller SDfiles. Convenient for batch processing.
File type: JavaScript Rating: 0.0 / 5 (0 ratings) | Comments: 0 | Viewed: 4 times | Downloaded: 3 times Tags: |
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